SCHEMBL2803840

SCHEMBL2803840

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC(C4CCCCC4)CC3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 3/20 0.35
MDM2 Q00987 1/20 0.35
POLB P06746 1/20 0.34
CNR2 P34972 3/20 0.34
THRB P10828 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL2800861 0.88 TP53 (0.39) ALDH1A1NPC1RAB9ATP53POLB
SCHEMBL2801230 0.88 TP53 (0.41) HPGDTRPC3TRPC6KDM4EALDH1A1
SCHEMBL2798971 0.87 KDM4E (0.43) HPGDTRPC3TRPC6KDM4EALDH1A1
SCHEMBL2803803 0.87 FASN (0.40) ALDH1A1TP53THRBMAPT
SCHEMBL2799817 0.85 FASN (0.36) TP53THRBMAPT
SCHEMBL2803131 0.83 TP53 (0.38) HPGDKDM4EALDH1A1RAB9ATP53
SCHEMBL2802527 0.82 SPR (0.37)
SCHEMBL2803136 0.81 ALDH1A1 (0.34) HPGDKDM4EALDH1A1HSD17B10NPC1
SCHEMBL2803802 0.81 AVPR1A (0.37) HPGDKDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL2801104 0.81 TP53 (0.35) HPGDKDM4EALDH1A1HSD17B10RAB9A

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 HPGD 589/4885TRPC3 3732/4885TRPC6 3951/4885

“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.