SCHEMBL3548321

SCHEMBL3548321

C=CCc1cc(C(=O)O)cc(CC=C)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TPMT P51580 5/20 0.46
MAPT P10636 2/20 0.45
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
PKM P14618 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 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
SCHEMBL3549570 0.90 TPMT (0.57) KDM4EALDH1A1TPMTMAPTCYP3A4
SCHEMBL9701610 0.86 CYP3A4 (0.44) KDM4EALDH1A1CYP3A4ALOX15HTT
SCHEMBL3542435 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTCYP3A4ALOX15
SCHEMBL3547337 0.82 CA12 (0.62) KDM4EALDH1A1TPMTMAPTCA12
SCHEMBL3547387 0.82 KDM4E (0.57) KDM4EALDH1A1TPMTMAPTCA12
SCHEMBL4982250 0.81 PTPN1 (0.60) KDM4EALDH1A1TPMTMAPTCYP3A4
SCHEMBL1573216 0.81 TPMT (0.52) KDM4EALDH1A1TPMTCA12CA1
SCHEMBL3934429 0.81 HTT (0.49) ALDH1A1TPMTCYP3A4CA12CA1
SCHEMBL16077697 0.80 CA12 (0.46) KDM4EALDH1A1TPMTMAPTCYP3A4
SCHEMBL4373039 0.79 ALDH1A1 (0.52) KDM4EALDH1A1MAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I KDM4E 3941/4885ALDH1A1 2335/4885TPMT 443/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE KDM4E 2323/4885ALDH1A1 2309/4885TPMT 3495/4885

“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.