SCHEMBL2697142

SCHEMBL2697142

COc1cc(C=O)ccc1OCc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 1/20 0.69
FDPS P14324 1/20 0.57
TSHR P16473 1/20 0.53
TRPM5 Q9NZQ8 1/20 0.52
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TTR P02766 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
ESRRA P11474 1/20 0.50

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
SCHEMBL28668979 0.85 ALDH1A1 (0.78) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12259157 0.83 FDPS (0.71) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4267533 0.83 NPC1 (0.64) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28648496 0.83 ALDH1A1 (0.74) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7606253 0.83 VCP (0.60) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7606257 0.83 VCP (0.60) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6585008 0.82 FDPS (0.55) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6798515 0.82 NPC1 (0.54) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13220785 0.82 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5096223 0.82 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-14 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-08-02 US disclosed
EP-2450352-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP disclosed
EP-0968179-B1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-09-25 EP disclosed
US-6277849-B1 FOR PROTECTION OF PLANTS AGAINST PHYTOPATHOGENIC MICROORGANISM INFESTATION SYNGENTA CROP PROTECTION, INC. 2001-08-21 US disclosed
EP-0968179-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES Novartis AG (CH) 2000-01-05 EP disclosed
WO-1998038161-A1 N-SULPHONYL AND N-SULPHINYL AMINO ACID AMIDES AS MICROBIOCIDES NOVARTIS AG (CH) 1998-09-03 WO 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-20130040951-A9 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 ALDH1A1 178/4885NPC1 1144/4885RAB9A 2459/4885
US-20120196864-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER BRCA1, ESRRA, NR5A1 ALDH1A1 178/4885NPC1 1144/4885RAB9A 2459/4885

“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.