SCHEMBL9988577

SCHEMBL9988577

CC(CO)c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ACE2 Q9BYF1 2/20 0.49
ANPEP P15144 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
RXRG P48443 1/20 0.43
USP5 P45974 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43

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
SCHEMBL6675694 0.85 ALDH1A1 (0.44) GRIA4ACE2MAPTALDH1A1SMN1; SMN2
SCHEMBL14966615 0.84 GRIA4 (0.49) GRIA4TP53TSHRANPEPRXRA
SCHEMBL14549283 0.83 TSHR (0.56) GRIA4TP53TSHRANPEPRXRA
SCHEMBL10031628 0.83 TSHR (0.56) GRIA4TP53TSHRANPEPRXRA
SCHEMBL115710 0.83 TSHR (0.56) GRIA4TP53TSHRANPEPRXRA
SCHEMBL548540 0.83 KMT2A (0.48) MAPTKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11147966 0.82 ALDH1A1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2SRD5A2
SCHEMBL2641075 0.82 ABCB11 (0.52) TSHRTRPA1
SCHEMBL9362701 0.82 GRIA4 (0.50) GRIA4TP53TSHRANPEPRXRA
SCHEMBL17363472 0.82 TAAR1 (0.57) GRIA4TP53TSHRANPEPRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516369-B1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LTD (IN) 2015-07-22 EP claimed
US-20130072573-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2013-03-21 US claimed
EP-2516369-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL Harman Finochem Limited (IN) 2012-10-31 EP claimed
WO-2011161687-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2011-12-29 WO claimed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
CN-103930409-B Armaticity amide thiazole, containing its cosmetic or dermatological preparations and their purposes overcoming and preventing less desirable cutaneous pigmentation 拜尔斯道夫股份公司 2016-08-24 CN disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
EP-2516369-B1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LTD (IN) 2015-07-22 EP disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
US-20130072573-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2013-03-21 US disclosed
US-20130072573-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2013-03-21 US disclosed
EP-2516369-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL Harman Finochem Limited (IN) 2012-10-31 EP disclosed
EP-2516369-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL Harman Finochem Limited (IN) 2012-10-31 EP disclosed
WO-2011161687-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2011-12-29 WO disclosed
WO-2011161687-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL HARMAN FINOCHEM LIMITED (IN) 2011-12-29 WO disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 GRIA4 3135/4885TP53 625/4885TSHR 1340/4885
US-20130072573-A1 PROCESS FOR PREPARING EXTRA PURE 2, 6-DIISOPROPYL PHENOL CYP2B6, CYP2D6, CYP2A6 GRIA4 1429/4885TP53 2438/4885TSHR 3529/4885

“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.