SCHEMBL2969419

SCHEMBL2969419

CCCCC[C@H]1CC[C@H](c2ccc(CO)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.50
CYP2C9 P11712 1/20 0.49
ESR2 Q92731 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
SPHK2 Q9NRA0 7/20 0.44

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
SCHEMBL2969423 1.00 SPHK1 (0.50) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL11286875 0.98 SPHK1 (0.52) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL11286877 0.98 SPHK1 (0.52) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL10787221 0.96 SPHK1 (0.47) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL10787226 0.96 SPHK1 (0.47) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL9338782 0.89 CYP2C9 (0.60) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL9442518 0.89 CYP2C9 (0.60) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL10579686 0.88 CYP2C9 (0.54) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL9399116 0.88 CYP2C9 (0.54) SPHK1CYP2C9ESR2ALDH1A1LMNA
SCHEMBL10381016 0.88 SPHK1 (0.56) SPHK1CYP2C9ESR2ALDH1A1LMNA

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
EP-2457888-B1 Process for isomerization of alkylcyclohexylbenzene MITSUBISHI GAS CHEMICAL CO (JP) 2013-12-04 EP disclosed
EP-2017252-B1 PREPARATION OF 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL CO (JP) 2012-12-19 EP disclosed
EP-2457888-A1 Process for isomerization of alkylcyclohexylbenzene Mitsubishi Gas Chemical Company, Inc. (JP) 2012-05-30 EP disclosed
US-7777081-B2 4-(4-alkylcyclohexyl)benzaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-17 US disclosed
US-20090118547-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US disclosed
EP-2017252-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2009-01-21 EP disclosed
US-4572794-A Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-02-25 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-20090118547-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE CYP4F3, AFF4, COXFA4 SPHK1 2635/4885CYP2C9 86/4885ESR2 2745/4885

“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.