SCHEMBL17066902

SCHEMBL17066902

CCC1C(=O)Nc2ccc(OC)cc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.57
PGR P06401 1/20 0.55
CDYL2 Q8N8U2 1/20 0.51
CDYL Q9Y232 1/20 0.51
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
SYK P43405 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42

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
SCHEMBL30067792 1.00 TP53 (0.57) TP53PGRCDYL2CDYLLMNA
SCHEMBL947797 0.84 NQO2 (0.58) TP53PGRCDYL2CDYLLMNA
SCHEMBL14484996 0.84 CDYL2 (0.58) TP53PGRCDYL2CDYLLMNA
SCHEMBL7382582 0.83 CDYL2 (0.57) TP53PGRCDYL2CDYLLMNA
SCHEMBL7385586 0.83 CDYL2 (0.60) TP53PGRCDYL2CDYLLMNA
SCHEMBL24019919 0.80 PGR (0.57) TP53PGRLMNAMAPTALDH1A1
SCHEMBL2988866 0.80 PGR (0.57) TP53PGRLMNAMAPTALDH1A1
SCHEMBL15730582 0.80 MAOA (0.51) TP53PGRCDYL2CDYLMAOA
SCHEMBL2986303 0.79 PGR (0.72) TP53PGRCDYL2CDYLLMNA
SCHEMBL2320598 0.79 PGR (0.56) TP53PGRCDYL2CDYLLMNA

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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TP53 4333/4885PGR 1804/4885CDYL2 4495/4885

“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.