SCHEMBL9774243

SCHEMBL9774243

C=CCOc1cccc(C(=O)O)c1OCC=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.55
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
FABP3 P05413 2/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 2/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CXCR5 P32302 2/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL7634575 0.90 TSHR (0.51) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL668774 0.89 SMN1; SMN2 (0.58) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL5243985 0.89 LIG1 (0.48) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL5239239 0.87 MAPK1 (0.66) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL3944765 0.86 LIG1 (0.54) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL13400836 0.86 LIG1 (0.54) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL31311029 0.86 LIG1 (0.48) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL27051428 0.86 LIG1 (0.45) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL2470333 0.85 LIG1 (0.54) LIG1TSHRGAASMN1; SMN2NPC1
SCHEMBL40310 0.85 LIG1 (0.69) LIG1TSHRGAAHPGDALDH1A1

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-11014891-B2 Reduction-triggered antibacterial sideromycins UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-05-25 US disclosed
US-9623127-B2 Multimodal contrast and radiopharmaceutical agent for an imaging and a targeted therapy guided by imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-04-18 US disclosed
US-9623127-B2 Multimodal contrast and radiopharmaceutical agent for an imaging and a targeted therapy guided by imaging CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-04-18 US disclosed
US-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
WO-2015061630-A2 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS MILLER MARVIN J (US) 2015-04-30 WO disclosed
US-20140336368-A1 MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-13 US disclosed
US-20140336368-A1 MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-11-13 US disclosed
US-5073448-A Containing light stabilizers CIBA-GEIGY CORPORATION (US) 1991-12-17 US 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 (3 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-11014891-B2 Reduction-triggered antibacterial sideromycins HAMP, SLC40A1, FTH1 LIG1 1509/4885TSHR 1637/4885GAA 2127/4885
US-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 LIG1 1509/4885TSHR 1637/4885GAA 2127/4885
US-20140336368-A1 MULTIMODAL CONTRAST AND RADIOPHARMACEUTICAL AGENT FOR AN IMAGING AND A TARGETED THERAPY GUIDED BY IMAGING RXFP1, SSTR4, MEN1 LIG1 2790/4885TSHR 446/4885GAA 791/4885

“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.