SCHEMBL19323005

SCHEMBL19323005

COc1cc(C(C)(C)CCC(C)(C)c2ccc(C(C)(C)C)cc2)ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.41
CNR1 P21554 4/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR2A P28223 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
DHODH Q02127 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL20441362 0.95 CNR2 (0.43) CNR2CNR1LMNAHPGDTP53
SCHEMBL24722134 0.90 CNR2 (0.41) CNR2CNR1LMNAHPGDTP53
SCHEMBL19323006 0.89 CNR2 (0.43) CNR2CNR1LMNAHPGDTP53
SCHEMBL24470934 0.87 LMNA (0.47) CNR2CNR1LMNAHPGDTP53
SCHEMBL2957161 0.84 HPGD (0.48) LMNAHPGDTP53CYP3A4ALOX15
SCHEMBL26780223 0.83 LMNA (0.42) CNR2CNR1LMNAHPGDTP53
SCHEMBL20016578 0.79 KDM4E (0.39) CNR2CNR1LMNAHPGDTP53
SCHEMBL19318453 0.77 CYP3A4 (0.43) LMNAHPGDTP53CYP3A4ALOX15
SCHEMBL23966906 0.76 TSHR (0.34) CNR2LMNATP53NR1H4EPHX2
SCHEMBL12894420 0.76 SMN1; SMN2 (0.38) CNR2CNR1LMNAHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC CNR2 2390/4885CNR1 1157/4885LMNA 2690/4885

“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.