SCHEMBL309416

SCHEMBL309416

Cc1cccc(-c2ccccc2)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS2 P35354 1/20 0.41
ESR2 Q92731 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
MYC P01106 1/20 0.39

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
SCHEMBL30404870 1.00 KDM4E (0.45) KDM4EALDH1A1TSHRRAB9AMEN1
Biphenyl SCHEMBL2455099 0.85 ALDH1A1 (0.48) KDM4EALDH1A1TSHRRAB9AMEN1
SCHEMBL954787 0.85 MEN1 (0.53) ALDH1A1RAB9AMEN1KMT2APTGS2
SCHEMBL15676174 0.84 BRD4 (0.42) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL1830917 0.83 ALDH1A1 (0.46) KDM4EALDH1A1TSHRRAB9AMEN1
SCHEMBL14840347 0.83 ERN1 (0.49) ALDH1A1TSHRRAB9ACA12CA1
SCHEMBL8357733 0.83 CA12 (0.39) KDM4EALDH1A1TSHRRAB9AMEN1
SCHEMBL27463129 0.82 KDM4E (0.42) KDM4EALDH1A1TSHRRAB9ACA12
SCHEMBL7092661 0.81 ALDH1A1 (0.44) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL3975312 0.81 BRD9 (0.37) KDM4EALDH1A1TSHRRAB9AMEN1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351506-B2 Purified plasticizers, production and use EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-07-16 US disclosed
US-20190031593-A1 Purified Plasticizers, Production and Use EXXONMOBIL CHEMICAL PATENTS INC. 2019-01-31 US disclosed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-2533778-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE Lexicon Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer LEXICON PHARMACEUTICALS, INC. 2012-12-13 US disclosed
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
WO-2009002964-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2008-12-31 WO disclosed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
EP-1055660-B1 Process for producing highly pure aromatic polycarboxylic acid MITSUBISHI GAS CHEMICAL CO (JP) 2003-05-21 EP disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
US-6452047-B1 LOW COLOR, SIMPLE PURIFICATION OF SUCH AS 2,6-NAPHTHALENE-DICARBOXYLIC ACID OR 4,4'-BIPHENYLDICARBOXYLIC ACID; AMINE SALT FORMATION, PRECIPITATION, AND DECOMPOSITION OF SALT BY DISSOLUTION IN WATER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-09-17 US disclosed
EP-1055660-A1 Process for producing highly pure aromatic polycarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-11-29 EP 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 (6 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-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS KDM4E 2484/4885ALDH1A1 602/4885TSHR 2562/4885
US-10351506-B2 Purified plasticizers, production and use ALKBH3, FTO, ALK KDM4E 110/4885ALDH1A1 142/4885TSHR 2624/4885
US-20120316171-A1 Tryptophan Hydroxylase Inhibitors for the Treatment of Cancer TPH1, TPH2, HNMT KDM4E 795/4885ALDH1A1 478/4885TSHR 772/4885
US-20190031593-A1 Purified Plasticizers, Production and Use ALKBH3, FTO, ALK KDM4E 110/4885ALDH1A1 142/4885TSHR 2624/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 KDM4E 4376/4885ALDH1A1 1286/4885TSHR 1704/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 KDM4E 445/4885ALDH1A1 1242/4885TSHR 1342/4885

“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.