SCHEMBL6441999

SCHEMBL6441999

COc1cccc(CC=C(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CTBP2 P56545 1/20 0.54
CYP1A2 P05177 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CMA1 P23946 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6441996 1.00 MEN1 (0.54) MEN1KMT2ACTBP2CYP1A2MTNR1A
SCHEMBL16932502 0.87 ALOX5 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL1621500 0.85 MTNR1A (0.53) MEN1KMT2ACTBP2CYP1A2MTNR1A
SCHEMBL20424848 0.83 CTBP2 (0.49) MEN1KMT2ACTBP2CYP1A2MTNR1A
SCHEMBL29964035 0.83 CTBP2 (0.49) MEN1KMT2ACTBP2CYP1A2MTNR1A
SCHEMBL18059842 0.82 TAAR1 (0.51) CYP1A2MTNR1AMTNR1BALDH1A1HTT
SCHEMBL11399171 0.81 ALDH1A1 (0.50) MEN1KMT2ACTBP2ALDH1A1HTT
SCHEMBL11399168 0.81 ALDH1A1 (0.50) MEN1KMT2ACTBP2ALDH1A1HTT
SCHEMBL7044262 0.80 CTBP2 (0.47) CTBP2CYP1A2
SCHEMBL4660600 0.80 IDO1 (0.53) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2

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
EP-1015505-B1 PRODUCTION OF PHOTOPOLYMERIZED POLYESTER HIGH INDEX OPHTHALMIC LENSES SIGNET ARMORLITE INC (US) 2005-03-09 EP claimed
EP-0783710-B1 POLYESTER RESIN-BASED HIGH INDEX OPHTHALMIC LENSES HAVING IMPROVED OPTICAL UNIFORMITY AND/OR TINTABILITY SIGNET ARMORLITE INC (US) 2002-05-29 EP claimed
EP-3191590-B1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LTD (GB) 2024-02-21 EP disclosed
US-10792640-B2 Sorbent material for separating bio-macromolecules QUANTUMDX GROUP LIMITED (GB) 2020-10-06 US disclosed
US-20170282154-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2017-10-05 US disclosed
EP-3191590-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES Quantumdx Group Limited (GB) 2017-07-19 EP disclosed
WO-2016040697-A1 SORBENT MATERIAL FOR SEPARATING BIO-MACROMOLECULES QUANTUMDX GROUP LIMITED (GB) 2016-03-17 WO disclosed