SCHEMBL404264

SCHEMBL404264

C#CC#Cc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA6 P23280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL69321 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL29409566 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL30564329 0.83 NPC1 (0.61) ALDH1A1NPC1RAB9AKDM4EHPGD
Benzene SCHEMBL29290216 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL688471 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15NPC1RAB9ACA12
Hydrochloric Acid SCHEMBL10490986 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL15546275 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL5004485 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL2256468 0.76 NPC1 (0.72) ALDH1A1ALOX15NPC1RAB9ACA12
SCHEMBL576637 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15NPC1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (7 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885ALOX15 1300/4885NPC1 371/4885

“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.