SCHEMBL10041856

SCHEMBL10041856

OC1(c2ccc(OCc3ccccc3)cc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HRH3 Q9Y5N1 4/20 0.52
RORC P51449 1/20 0.51
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
RAB9A P51151 3/20 0.49
MAOB P27338 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17072362 1.00 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16553890 0.95 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2016642 0.85 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL21874079 0.85 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3133827 0.85 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5691564 0.84 MMP13 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3133794 0.83 MMP2 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9554334 0.82 LMNA (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2959082 0.82 CYP4F2 (0.51) NR4A2MAOBMAOA
SCHEMBL20869230 0.81 OPRM1 (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106892805-A A kind of synthetic method of 4- (4- hydroxy phenyls) cyclohexanone 西安瑞联新材料股份有限公司 2017-06-27 CN disclosed
US-8642603-B2 Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2014-02-04 US disclosed
US-8207181-B2 Substituted dihydro, trihydro and tetrahydro cycloalkyloxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2012-06-26 US disclosed
US-20110077257-A1 SUBSTITUTED DIHYDRO, TRIHYDRO AND TETRAHYDRO CYCLOALKYLOXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-31 US disclosed
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2010-03-25 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 (2 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-20110077257-A1 SUBSTITUTED DIHYDRO, TRIHYDRO AND TETRAHYDRO CYCLOALKYLOXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF CNR2, CNR1, GRIN2B LMNA 3976/4885CYP1A2 379/4885PTGS1 716/4885
US-20100075994-A1 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C LMNA 3882/4885CYP1A2 411/4885PTGS1 752/4885

“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.