SCHEMBL2801353

SCHEMBL2801353

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)O)cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
KDR P35968 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.43
STAT1 P42224 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE4B Q07343 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL2803123 0.92 KDM4E (0.52) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2801447 0.90 KDM4E (0.50) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2801435 0.90 NPC1 (0.53) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2803195 0.86 NPC1 (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2800874 0.85 RAB9A (0.56) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2799881 0.84 KDM4E (0.50) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2801709 0.84 KDR (0.57) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2800432 0.83 KDM4E (0.41) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2798971 0.83 KDM4E (0.43) KDM4ENPC1RAB9AKDRALDH1A1
SCHEMBL2801451 0.82 KDM4E (0.50) KDM4ENPC1RAB9AKDRALDH1A1

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 KDM4E 3180/4885NPC1 1787/4885RAB9A 3259/4885

“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.