SCHEMBL3025618

SCHEMBL3025618

CCCC1CCC(c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.59
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR2 Q92731 9/20 0.47
ESR1 P03372 6/20 0.42
CYP3A4 P08684 2/20 0.42
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2D6 P10635 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6556143 1.00 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2556952 0.90 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL29186351 0.90 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2554148 0.89 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6558025 0.89 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13326212 0.88 LPL (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28639173 0.88 LPL (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9225249 0.86 ESR2 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2556128 0.86 ESR2 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8107212 0.86 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486272-B2 Agricultural or horticultural insecticide or animal ectoparasite or endoparasite control agent each comprising an imidazopyridazine compound or a salt thereof as active ingredient, and method for using the insecticide or the control agent NIHON NOHYAKU CO., LTD. (JP) 2025-12-02 US disclosed
US-12433153-B2 Organic transistor material and organic transistor ORGANO SCIENCE CO., LTD. (JP) 2025-09-30 US disclosed
US-12241012-B2 Heterocyclic compounds for liquid crystals MERCK PATENT GMBH (DE) 2025-03-04 US disclosed
US-12116370-B2 Condensed heterocyclic compound having a bridgehead nitrogen atom or salt thereof, agricultural or horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2024-10-15 US disclosed
EP-4029866-B1 INSECTICIDE AGENT FOR AGRICULTURAL OR HORTICULTURAL USE OR ANIMAL ECTOPARASITE OR ENDOPARASITE CONTROL AGENT EACH CONTAINING IMIDAZOPYRIDAZINE COMPOUND OR SALT THEREOF AS ACTIVE INGREDIENT, AND USE OF SAID INSECTICIDE AGENT AND SAID CONTROL AGENT NIHON NOHYAKU CO LTD (JP) 2024-07-24 EP disclosed
EP-4022007-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-04-03 EP disclosed
US-20240101903-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS MERCK PATENT GMBH (DE) 2024-03-28 US disclosed
EP-4332198-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS Merck Patent GmbH (DE) 2024-03-06 EP disclosed
CN-117624076-A Heterocyclic compounds for liquid crystals 默克专利股份有限公司 2024-03-01 CN disclosed
CN-111094512-B Liquid crystal medium and liquid crystal display comprising same 默克专利股份有限公司 2024-01-09 CN disclosed
US-20060131541-A1 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device JNC PETROCHEMICAL CORPORATION (JP) 2006-06-22 US disclosed
EP-1245660-B1 Liquid crystal compounds having bis(trifluoromethyl)phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORP (JP) 2005-02-23 EP disclosed
US-6844032-B2 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 2005-01-18 US disclosed
EP-1411104-A1 Liquid crystalline compounds with a -CHFO- bridge MERCK PATENT GmbH (DE) 2004-04-21 EP disclosed
US-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices JNC PETROCHEMICAL CORPORATION (JP) 2003-04-24 US disclosed
EP-1245660-A2 Liquid crystal compounds having bis(trifluoromethyl)phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 2002-10-02 EP disclosed
US-5571449-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-11-05 US disclosed
US-5422035-A Mixture of polar compounds free of nitrile-containing compounds havng a positive dielectric anisotropy; twisted and supertwisted nematic cells; high resistance; low voltage MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-06-06 US disclosed
EP-0601156-A1 CROSS-COUPLING PROCESS OF BORIC ACIDS WITH HALOGENATED COMPOUNDS MERCK PATENT GmbH (DE) 1994-06-15 EP disclosed
WO-1994000423-A1 CROSS-COUPLING PROCESS OF BORIC ACIDS WITH HALOGENATED COMPOUNDS MERCK PATENT GMBH (DE) 1994-01-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12241012-B2 Heterocyclic compounds for liquid crystals CCNI, MCM2, MCM3 CYP2C9 817/4885ALDH1A1 2670/4885LMNA 511/4885
US-12116370-B2 Condensed heterocyclic compound having a bridgehead nitrogen atom or salt thereof, agricultural or horticultural insecticide comprising the compound, and method for using the insecticide DDT, NOX1, NOXO1 CYP2C9 488/4885ALDH1A1 2882/4885LMNA 2915/4885
US-12486272-B2 Agricultural or horticultural insecticide or animal ectoparasite or endoparasite control agent each comprising an imidazopyridazine compound or a salt thereof as active ingredient, and method for using the insecticide or the control agent HDHD5, IMPA1, CYP4Z1 CYP2C9 789/4885ALDH1A1 1130/4885LMNA 4127/4885
US-20060131541-A1 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device HCCS, SCO2, COIL CYP2C9 607/4885ALDH1A1 262/4885LMNA 981/4885
US-20240101903-A1 HETEROCYCLIC COMPOUNDS FOR LIQUID CRYSTALS CCNI, MCM2, MCM3 CYP2C9 817/4885ALDH1A1 2670/4885LMNA 511/4885
US-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices RCC1, KCNH2, OCIAD2 CYP2C9 4369/4885ALDH1A1 1846/4885LMNA 1164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.