SCHEMBL2383773

SCHEMBL2383773

C=CC1CCC(CCC)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL8725666 1.00 CYP1A2 (0.34) CYP1A2CYP2C9TSHRALDH1A1LMNA
SCHEMBL2270739 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL28361607 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL7902037 0.94 CYP1A2 (0.40) CYP1A2CYP2C9TSHRALDH1A1LMNA
SCHEMBL7774459 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL7902041 0.94 CYP1A2 (0.40) CYP1A2CYP2C9TSHRALDH1A1LMNA
SCHEMBL7774457 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL7774454 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL2270744 0.94 TLR4 (0.35) CYP1A2CYP2C9
SCHEMBL2270741 0.94 TLR4 (0.35) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284517-A PHS resin with narrow molecular weight distribution and high light transmittance, and synthetic method and application thereof 上海八亿时空先进材料有限公司 2023-06-23 CN disclosed
US-8512598-B2 Liquid crystal compounds and method for preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2013-08-20 US disclosed
US-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME Dongjin Semichem Co., Ltd., (KR) 2011-09-29 US disclosed
WO-2010071335-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-06-24 WO disclosed
EP-0623102-B1 CYCLOBUTANE-BENZOLE DERIVATIVES MERCK PATENT GMBH (DE) 1998-06-24 EP disclosed
US-5445764-A Based on derivatives of m-difluorobenzene; low viscosity; stability; broad mesophase range; good optical and dielectric anisotropy; specific resistance; matrix and supertwist displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-29 US disclosed
EP-0623102-A1 CYCLOBUTANE-BENZOLE DERIVATIVES MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed
WO-1994012455-A1 CYCLOBUTANE-BENZOLE DERIVATIVES MERCK PATENT GMBH (DE) 1994-06-09 WO disclosed
EP-0282542-B1 PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS MERCK PATENT GMBH (DE) 1994-05-18 EP disclosed
EP-0361157-A1 Phenyl pyridines F. HOFFMANN-LA ROCHE AG (CH) 1990-04-04 EP disclosed
EP-0282542-A1 PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS. MERCK PATENT GMBH (DE) 1988-09-21 EP disclosed
WO-1988002357-A2 PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-04-07 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-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME HCK, NLK, VRK1 CYP1A2 1014/4885CYP2C9 548/4885TSHR 4505/4885

“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.