SCHEMBL2384002

SCHEMBL2384002

C=CC1CCC(c2ccc(CCC3CCC(CCC)CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SPHK1 Q9NYA1 12/20 0.43
ESR2 Q92731 1/20 0.38
SPHK2 Q9NRA0 7/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL2384580 0.92 SPHK1 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383839 0.92 SPHK1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383587 0.91 SPHK1 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383280 0.90 SPHK1 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2383829 0.90 SPHK1 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10553199 0.88 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10553204 0.88 CYP2C9 (0.58) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10901751 0.87 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10479540 0.87 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10479544 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP2C9 548/4885ALDH1A1 4460/4885LMNA 1228/4885

“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.