SCHEMBL2800205

SCHEMBL2800205

Cc1ccc(F)c(Nc2c(C(=O)N3CCC4(CCc5ccccc54)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.46
ADRA1A P35348 5/20 0.39
MCHR1 Q99705 5/20 0.39
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 3/20 0.36
OPRL1 P41146 1/20 0.36
KRAS P01116 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDR P35968 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
PDE4B Q07343 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TLR4 O00206 1/20 0.34

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
SCHEMBL2800978 0.91 ADRA1A (0.38) RBP4ADRA1AMCHR1HPGDSALDH1A1
SCHEMBL2801254 0.90 ADRA1A (0.36) RBP4ADRA1AMCHR1HPGDSALDH1A1
SCHEMBL2801267 0.88 RBP4 (0.51) RBP4HPGDSALDH1A1OPRL1KRAS
SCHEMBL2801665 0.88 RBP4 (0.46) RBP4ADRA1AMCHR1HPGDSALDH1A1
SCHEMBL2801503 0.87 AVPR1A (0.42) ALDH1A1TP53CYP46A1PDE4BKDM4E
SCHEMBL2800983 0.85 CYP46A1 (0.37) ALDH1A1HPGDTP53CYP46A1KDR
SCHEMBL2800965 0.85 DHODH (0.35) ALDH1A1HPGDTP53CYP46A1KDR
SCHEMBL2802330 0.82 IDO1 (0.36) ALDH1A1TP53KDM4ETLR4
SCHEMBL2801655 0.82 ALDH1A1 (0.41) ALDH1A1TP53PDE4BKDM4E
SCHEMBL2801328 0.81 TP53 (0.37) ALDH1A1HPGDTP53CYP46A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 RBP4 92/4885ADRA1A 3142/4885MCHR1 3678/4885

“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.