SCHEMBL16865499

SCHEMBL16865499

Cc1ccc(C(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 5/20 0.44
EPAS1 Q99814 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.42
POLB P06746 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
TP53 P04637 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
SCHEMBL482234 0.84 COXFA4 (0.49) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL14541271 0.84 COXFA4 (0.52) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL16865510 0.82 RAB9A (0.56) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL8066269 0.81 COXFA4 (0.53) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL30874660 0.81 COXFA4 (0.53) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL6648245 0.81 ALDH1A1 (0.57) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL16694172 0.80 COXFA4 (0.59) COXFA4ALDH1A1CYP3A4HIF1AEPAS1
SCHEMBL11398330 0.77 COXFA4 (0.62) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL7766618 0.76 COXFA4 (0.49) COXFA4ALDH1A1HPGDTDP1CYP3A4
SCHEMBL6271732 0.76 COXFA4 (0.49) COXFA4ALDH1A1HPGDTDP1CYP3A4

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-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN COXFA4 3510/4885ALDH1A1 355/4885HPGD 905/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P COXFA4 3670/4885ALDH1A1 963/4885HPGD 1314/4885

“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.