SCHEMBL3097033

SCHEMBL3097033

CC/C=C/Oc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PLA2G4B P0C869 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SRD5A2 P31213 2/20 0.45
PKM P14618 1/20 0.44
RARB P10826 3/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3097035 1.00 CA1 (0.50) CA1CA2PLA2G4BTP53TSHR
SCHEMBL28577854 0.86 TP53 (0.49) CA1CA2PLA2G4BTP53TSHR
SCHEMBL9225196 0.83 TP53 (0.54) CA1CA2PLA2G4BTP53TSHR
SCHEMBL9225206 0.83 TP53 (0.54) CA1CA2PLA2G4BTP53TSHR
SCHEMBL6925756 0.81 TP53 (0.59) PLA2G4BTP53TSHRKMT2AALDH1A1
SCHEMBL8378126 0.81 TP53 (0.59) PLA2G4BTP53TSHRKMT2AALDH1A1
SCHEMBL8378127 0.81 TP53 (0.59) PLA2G4BTP53TSHRKMT2AALDH1A1
SCHEMBL28731497 0.81 CYP19A1 (0.41) TP53KMT2AHTT
SCHEMBL23220822 0.80 RECQL (0.36) RXRARXRBPARP10KMT2AALDH1A1
SCHEMBL9330072 0.80 RARB (0.57) PLA2G4BTP53TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799243-B2 Shape memory main-chain smectic-C elastomers UNIVERSITY OF CONNECTICUT (US) 2010-09-21 US disclosed
US-7601274-B2 addition-condensation copolymer is formed from hydrosilylation, comprising a liquid crystalline diene, crosslinking agent tetrakis(vinyldimethylsiloxy)silane and hydride-terminated polydimethylsiloxane; implantable medical device, intraocular lens, contact lens; reversible shape changes THE UNIVERSITY OF CONNECTICUT (US) 2009-10-13 US disclosed
US-20090240075-A1 SHAPE MEMORY MAIN-CHAIN SMECTIC-C ELASTOMERS MATHER PATRICK T 2009-09-24 US disclosed
WO-2005103201-A1 SHAPE MEMORY MAIN-CHAIN SMECTIC-C ELASTOMERS UNIVERSITY OF CONNECTICUT (US) 2005-11-03 WO disclosed
US-20050242325-A1 Shape memory main-chain smectic-C elastomers CONNECTICUT, UNIVERSITY OF 2005-11-03 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 (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-20090240075-A1 SHAPE MEMORY MAIN-CHAIN SMECTIC-C ELASTOMERS HBS1L, SMCHD1, SMC2 CA1 270/4885CA2 1221/4885PLA2G4B 4799/4885

“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.