SCHEMBL2801052

SCHEMBL2801052

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC4(CC3)COc3c(F)cccc34)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDR P35968 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BRAF P15056 7/20 0.36
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
CSNK1D P48730 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL2803128 0.96 BRAF (0.37) ALDH1A1KDRKDM4ENPC1RAB9A
SCHEMBL2801328 0.92 TP53 (0.37) ALDH1A1KDRKDM4EHSD17B10HPGD
SCHEMBL2798480 0.91 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2803190 0.90 AVPR1A (0.40) ALDH1A1KDRKDM4ENPC1RAB9A
SCHEMBL2804334 0.89 ALDH1A1 (0.33) ALDH1A1KDRKDM4ENPC1RAB9A
SCHEMBL2801683 0.88 KDM4E (0.36) ALDH1A1KDRKDM4ENPC1RAB9A
SCHEMBL2800965 0.87 DHODH (0.35) ALDH1A1KDRKDM4EHSD17B10HPGD
SCHEMBL2800216 0.87 AVPR1A (0.41) ALDH1A1KDRKDM4ENPC1RAB9A
SCHEMBL2799589 0.86 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2799919 0.86 CCNA2 (0.40) ALDH1A1KDM4ENPC1RAB9ABRAF

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 ALDH1A1 243/4885KDR 3785/4885KDM4E 3180/4885

“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.