SCHEMBL80558

SCHEMBL80558

O=COc1ccc(/C(=C(\c2ccccc2)c2ccc(C(=O)O)cc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
SRD5A2 P31213 6/20 0.49
PKM P14618 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 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
SCHEMBL15187895 1.00 TSHR (0.50) TSHRDAONAPRTSRD5A2PKM
SCHEMBL19939675 0.94 CA1 (0.50) TSHRSRD5A2PKMNR4A1NR4A2
SCHEMBL18504196 0.94 CA1 (0.50) TSHRSRD5A2PKMNR4A1NR4A2
SCHEMBL15189470 0.93 CES2 (0.42) SRD5A2PKMCES2CES1ALDH1A1
SCHEMBL18504197 0.89 HSD17B10 (0.51) TSHRSRD5A2CA1CA2TP53
SCHEMBL18504198 0.89 HSD17B10 (0.51) TSHRSRD5A2CA1CA2TP53
SCHEMBL6054668 0.89 CA1 (0.56) TSHRDAONAPRTSRD5A2PKM
SCHEMBL27438635 0.86 BCL2L1 (0.52) TSHRSRD5A2PKMCES2CES1
SCHEMBL27851888 0.85 CA1 (0.52) TSHRSRD5A2PKMNR4A1NR4A2
SCHEMBL17718221 0.83 SRD5A2 (0.60) TSHRSRD5A2PKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180067087-A1 AMINE COMPOUND DETECTION MARKER TOSHIBA TEC KABUSHIKI KAISHA (JP) 2018-03-08 US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 US disclosed
US-20150031607-A1 WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-29 US disclosed
US-8679738-B2 Water-soluble AIE luminogen for monitoring and retardation of amyloid fibrillation of insulin THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2014-03-25 US disclosed
US-20120172296-A1 WATER-SOLUBLE AIE LUMINOGEN FOR MONITORING AND RETARDATION OF AMYLOID FIBRILLATION OF INSULIN THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2012-07-05 US disclosed
US-8129111-B2 Fluorescent water-soluable conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2012-03-06 US disclosed
US-20100009362-A1 Fluorescent water-soluable conjugated polyene compounds that exhibit aggregation induced emission and methods of making and using same THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-01-14 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 (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-20120172296-A1 WATER-SOLUBLE AIE LUMINOGEN FOR MONITORING AND RETARDATION OF AMYLOID FIBRILLATION OF INSULIN IAPP, IGF2BP1, IGF2BP2 TSHR 867/4885DAO 3952/4885NAPRT 3631/4885
US-20180067087-A1 AMINE COMPOUND DETECTION MARKER HRH3, PHOSPHO1, HNMT TSHR 3107/4885DAO 2160/4885NAPRT 1652/4885

“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.