SCHEMBL307118

SCHEMBL307118

Cc1cccc(-c2ccccc2C=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
CNR2 P34972 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GRM5 P41594 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
XDH P47989 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
M-Xylene SCHEMBL27925034 0.89 L3MBTL1 (0.43) ALDH1A1TSHRCNR2NPC1RAB9A
Toluene SCHEMBL27481880 0.85 TSHR (0.45) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL28988466 0.85 MAOB (0.44) ALDH1A1TSHRCNR2RAB9ATDP1
SCHEMBL30405426 0.85 MAOB (0.44) ALDH1A1TSHRCNR2RAB9ATDP1
Toluene SCHEMBL27617474 0.85 TSHR (0.48) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL28624505 0.85 NPSR1 (0.51) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL15663216 0.85 CNR2 (0.52) CNR2CNR1
SCHEMBL3967846 0.84 ERN1 (0.47) CNR2CNR1
SCHEMBL27851536 0.84 ALDH1A1 (0.38) ALDH1A1TSHRCNR2NPC1RAB9A
SCHEMBL7091474 0.84 CNR2 (0.47) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426638-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2020-05-06 EP disclosed
US-20190055213-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2019-02-21 US disclosed
EP-3426638-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Netherlands Translational Research Center B.V. (NL) 2019-01-16 EP disclosed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
WO-2017153459-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-09-14 WO 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-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 EP disclosed
CN-1276727-A Growth hormone secretagogues LILLY CO ELI (US) 2000-12-13 CN disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 WO disclosed
EP-0933365-A2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 1999-08-04 EP disclosed
EP-0898963-A2 Congestive heart failure treatment ELI LILLY AND COMPANY (US) 1999-03-03 EP disclosed
WO-1999008699-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
WO-1999008697-A1 TREATMENT OF CONGESTIVE HEART FAILURE WITH GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1999-02-25 WO disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 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 (3 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 ALDH1A1 602/4885TSHR 2562/4885CNR2 498/4885
US-20190055213-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH2 ALDH1A1 387/4885TSHR 2637/4885CNR2 109/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 ALDH1A1 1242/4885TSHR 1342/4885CNR2 635/4885

“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.