SCHEMBL88797

SCHEMBL88797

COCCCOc1cc(C)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.45
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 6/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL8432254 0.92 AR (0.47) ARTSHRL3MBTL1HPGDMAPT
SCHEMBL14228412 0.85 ALDH1A1 (0.50) ARTSHRL3MBTL1HPGDMAPT
SCHEMBL13199463 0.83 AR (0.45) ARTSHRL3MBTL1HPGDMAPT
SCHEMBL89415 0.83 EGFR (0.41) ARHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL15337643 0.82 AR (0.47) ARL3MBTL1HPGDMAPTRAB9A
SCHEMBL89387 0.81 TSHR (0.62) TSHRL3MBTL1HPGDMAPTRAB9A
SCHEMBL1776690 0.80 AR (0.57) ARL3MBTL1HPGDMAPTRAB9A
SCHEMBL15337378 0.78 AR (0.50) ARL3MBTL1HPGDMAPTCYP2C9
SCHEMBL1911338 0.78 ALDH1A1 (0.51) ARTSHRHPGDMAPTRAB9A
SCHEMBL29530795 0.78 ALDH1A1 (0.51) ARTSHRHPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (3 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 AR 1411/4885TSHR 1095/4885L3MBTL1 3031/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC AR 2440/4885TSHR 2757/4885L3MBTL1 4255/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO AR 3040/4885TSHR 3249/4885L3MBTL1 4645/4885

“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.