SCHEMBL4562041

SCHEMBL4562041

c1ccc(CCc2ccccc2C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
NAAA Q02083 1/20 0.39
EPHX2 P34913 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 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
SCHEMBL49168 0.84 PTGDR2 (0.44) PTGDR2SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL3844188 0.80 NUDT1 (0.49) PTGDR2TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL11366023 0.80 PTGDR2 (0.41) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4825129 0.80 HTR1D (0.43) PTGDR2SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL9203359 0.80 PTGDR2 (0.44) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5544918 0.80 PTGDR2 (0.41) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL11919540 0.78 PTGDR2 (0.54) PTGDR2NAAA
SCHEMBL3842826 0.78 HTR2A (0.49) PTGDR2TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27397494 0.78 HTR1D (0.44) PTGDR2SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL7496193 0.78 PTGDR2 (0.41) PTGDR2SLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577837-B Liquid-crystalline medium 默克专利股份有限公司 2023-05-16 CN disclosed
EP-3638657-A1 DIBENZOFURAN DERIVATIVES AND DIBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2020-04-22 EP disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 EP disclosed
US-7425356-B2 Chiral compounds MERCK PATENT GMBH (DE) 2008-09-16 US disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 WO disclosed
US-20070229732-A1 CHIRAL COMPOUNDS TAUGERBECK ANDREAS 2007-10-04 US disclosed
EP-0491901-A1 ELECTRO-OPTICAL SYSTEM MERCK PATENT GmbH (DE) 1992-07-01 EP disclosed
EP-0482157-A1 1,3-DIOXANE DERIVATES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1992-04-29 EP disclosed
EP-0480008-A1 PHENYL CYCLOHEXANES AND LIQUID CRYSTAL MEDIUM. MERCK PATENT GMBH (DE) 1992-04-15 EP disclosed
EP-0476103-A1 PHENYL CYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0438574-A1 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS MEDIUM. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
EP-0429558-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE. MERCK PATENT GMBH (DE) 1991-06-05 EP disclosed
EP-0427829-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GmbH (DE) 1991-05-22 EP disclosed
EP-0418362-A1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-03-27 EP disclosed
EP-0400068-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK PATENT GmbH (DE) 1990-12-05 EP disclosed
EP-0364538-A1 DIFLUOROBENZOL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-04-25 EP disclosed
EP-0358741-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID. MERCK PATENT GMBH (DE) 1990-03-21 EP disclosed
WO-1989008688-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008633-A1 DIFLUOROBENZOL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008632-A1 DERIVATIVES OF 2,3-DIFLUOROPHENOL MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 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 (1 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-20070229732-A1 CHIRAL COMPOUNDS F12, F2, C1S PTGDR2 239/4885TAAR1 818/4885SLC6A2 1903/4885

“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.