SCHEMBL14948629

SCHEMBL14948629

CC(C)(C)c1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ RXRB P28702 6/20 0.46
▸ RXRA P19793 5/20 0.46
▸ RXRG P48443 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ACMSD Q8TDX5 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL26128568 0.82 GABRA1 (0.41) RXRBRXRARXRGKDM4ELMNA
SCHEMBL21044393 0.81 RXRB (0.54) RXRBRXRARXRGSRD5A2
SCHEMBL27420025 0.80 GABRA1 (0.39) ALOX15TSHRHIF1ARXRBRXRA
SCHEMBL16978930 0.80 LMNA (0.48) RXRBRXRARXRGKDM4ELMNA
SCHEMBL17595192 0.77 ALOX15 (0.54) ALOX15TSHRHIF1ARXRBRXRA
SCHEMBL19268307 0.77 GRN (0.42) ALOX15TSHRHIF1ARXRBRXRA
SCHEMBL2054583 0.75 ALDH1A1 (0.55) RXRBRXRARXRGTDP1KDM4E
SCHEMBL29538013 0.75 ALDH1A1 (0.55) RXRBRXRARXRGTDP1KDM4E
SCHEMBL25557316 0.75 CES2 (0.41) ALOX15TSHRHIF1ARXRBRXRA
SCHEMBL2272649 0.74 ALDH1A1 (0.53) RXRBRXRARXRGTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 — — EP claimed
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 — — US disclosed
US-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 — — US disclosed
US-9691555-B2 Photosensitive porphyrin dyes for dye-sensitized solar cells NATIONAL CHUNG HSING UNIVERSITY (TW) 2017-06-27 — — US disclosed
EP-2776412-B1 PROCESS FOR PREPARING A DIVINYLARENE DIOXIDE BLUE CUBE IP LLC (US) 2017-05-03 — — EP disclosed
US-9334252-B2 Process for preparing a divinylarene dioxide BLUE CUBE IP LLC (US) 2016-05-10 — — US disclosed
US-9334252-B2 Process for preparing a divinylarene dioxide BLUE CUBE IP LLC (US) 2016-05-10 — — US disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 — — US disclosed
US-20140256969-A1 PROCESS FOR PREPARING A DIVINYLARENE DIOXIDE BLUE CUBE IP LLC 2014-09-11 — — US disclosed
US-20140256969-A1 PROCESS FOR PREPARING A DIVINYLARENE DIOXIDE BLUE CUBE IP LLC 2014-09-11 — — US disclosed
WO-2013070392-A1 PROCESS FOR PREPARING A DIVINYLARENE DIOXIDE DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-16 — — 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-20150218192-A1 Polysilylated Organosilane Compounds ALG8, UGT1A9, SI ALOX15 2697/4885TSHR 4451/4885HIF1A 3858/4885
US-20140256969-A1 PROCESS FOR PREPARING A DIVINYLARENE DIOXIDE HAO2, PPOX, HVCN1 ALOX15 591/4885TSHR 1622/4885HIF1A 35/4885

“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.

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