SCHEMBL30946

SCHEMBL30946

CCCCC1CCC(c2ccc(C)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.41
CYP1A2 P05177 2/20 0.38
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL12386950 0.96 OPRL1 (0.39) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL15043577 0.95 OPRL1 (0.40) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL12140862 0.92 OPRL1 (0.38) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL13110480 0.92 OPRL1 (0.38) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL12031971 0.91 OPRL1 (0.34) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL14235341 0.91 OPRL1 (0.43) OPRL1MEN1MAPK1KMT2AMAPT
SCHEMBL12716105 0.91 OPRL1 (0.43) OPRL1MEN1MAPK1KMT2AMAPT
SCHEMBL15316637 0.90 OPRL1 (0.36) OPRL1CYP1A2GAAMEN1MAPK1
SCHEMBL8934902 0.87 GAA (0.36) OPRL1GAAMEN1MAPK1KMT2A
SCHEMBL4406898 0.87 OPRL1 (0.40) OPRL1MEN1MAPK1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
WO-2021134883-A1 LIQUID CRYSTAL COMPOSITION OF NEGATIVE LIQUID CRYSTAL COMPOUND HAVING METHOXY BRIDGE BOND AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
WO-2021134885-A1 HIGH-CONTRAST NEGATIVE LIQUID CRYSTAL COMPOSITION CONTAINING PHENYLPROPYLTHIOPHENE AND APPLICATION THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
US-8398887-B2 Liquid crystal compounds of butylenes YANTAI VALIANT FINE CHEMICALS CO., LTD. (CN) 2013-03-19 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed
US-20110260106-A1 LIQUID CRYSTAL COMPOUNDS OF BUTYLENES VALIANT CORPORATION LIMITED (CN) 2011-10-27 US 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-20110260106-A1 LIQUID CRYSTAL COMPOUNDS OF BUTYLENES OR10J3, CNOT1, MYB OPRL1 2094/4885CYP1A2 1653/4885GAA 4806/4885

“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.