SCHEMBL78950

SCHEMBL78950

OCCCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.42
TSHR P16473 1/20 0.40
IDO1 P14902 2/20 0.39
TBXA2R P21731 1/20 0.38
DAO P14920 1/20 0.37
CNR1 P21554 1/20 0.37
TLR8 Q9NR97 1/20 0.37
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
CA2 P00918 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL16961664 0.85 EPAS1 (0.39) TNKS2TBXA2RDAOTLR8CYP11B1
SCHEMBL2249765 0.84 TSHR (0.44) TSHRIDO1DAOCNR1CA2
SCHEMBL13267737 0.81 TNKS2 (0.50) TNKS2TBXA2RIGF1RALOX15CA2
SCHEMBL14884583 0.79 CHKA (0.47) IGF1RALOX15CA2L3MBTL1CYP4A11
SCHEMBL2355446 0.78 TSHR (0.57) TSHRIDO1DAOCNR1L3MBTL1
SCHEMBL82224 0.78 HTR3E (0.59) IDO1TBXA2RALDH1A1HTR3EHTR3B
SCHEMBL22558643 0.76 CYP11B1 (0.41) TNKS2TBXA2RTLR8CYP11B1CYP11B2
SCHEMBL80449 0.75 L3MBTL1 (0.56) IDO1TBXA2RIGF1RALOX15CA2
SCHEMBL80576 0.75 TSHR (0.40) TSHRIDO1DAOCNR1IGF1R
SCHEMBL10564948 0.75 TAAR1 (0.45) TSHRIDO1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed
EP-0212066-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-11-22 EP disclosed
US-4810811-A CHEMICAL INTERMEDIATES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed
US-4707488-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0212066-A1 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-04 EP disclosed
EP-0191621-A2 Dopamine-bêta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1986-08-20 EP disclosed
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 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 (1 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TNKS2 4834/4885TSHR 1310/4885IDO1 5/4885

“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.