SCHEMBL2556952

SCHEMBL2556952

CCCCC1CCC(c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LPL P06858 5/20 0.44
LIPG Q9Y5X9 5/20 0.44
TRPV1 Q8NER1 1/20 0.42
MGLL Q99685 1/20 0.42
SPHK1 Q9NYA1 2/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL29186351 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2554148 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6558025 0.95 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28639173 0.94 LPL (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13326212 0.94 LPL (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3025618 0.90 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6556143 0.90 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8113908 0.89 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8107212 0.89 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL11185308 0.87 CYP2C9 (0.56) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595415-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2026-04-07 US disclosed
EP-4314194-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-09-10 EP disclosed
EP-4263751-B1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-08-13 EP disclosed
US-12359128-B2 Heteroaromatic isothiocyanates MERCK PATENT GMBH (DE) 2025-07-15 US disclosed
EP-4263750-B1 HETEROAROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-06-04 EP disclosed
EP-4237508-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-04-30 EP disclosed
CN-116507695-B Aromatic isothiocyanates 默克专利股份有限公司 2025-02-25 CN disclosed
US-12203023-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2025-01-21 US disclosed
US-12077703-B2 Heteroaromatic isothiocyanates MERCK PATENT GMBH (DE) 2024-09-03 US disclosed
US-20240199957-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-06-20 US disclosed
WO-2022090099-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
WO-2022090099-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2022-05-05 WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-113528148-A Liquid crystal medium for high-frequency technology and assembly thereof 西安近代化学研究所 2021-10-22 CN disclosed
CN-113528149-A Liquid crystal compound, liquid crystal composition and high-frequency assembly comprising liquid crystal compound 西安近代化学研究所 2021-10-22 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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 (2 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-12595415-B2 Aromatic isothiocyanates NAF1, H1-0, HNRNPU CYP2C9 4228/4885ALDH1A1 1660/4885LMNA 900/4885
US-12077703-B2 Heteroaromatic isothiocyanates TRPA1, CRY1, FOXM1 CYP2C9 1178/4885ALDH1A1 1450/4885LMNA 2725/4885

“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.