SCHEMBL79488

SCHEMBL79488

CCc1ccc(CCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.57
TAAR1 Q96RJ0 1/20 0.52
CA2 P00918 5/20 0.50
CYP4F2 P78329 2/20 0.50
PPARA Q07869 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45

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
SCHEMBL9208507 0.93 CYP4A11 (0.58) CYP4A11TAAR1CA2CYP4F2ALDH1A1
SCHEMBL9027695 0.91 CYP4A11 (0.56) CYP4A11TAAR1CA2CYP4F2ALDH1A1
SCHEMBL239040 0.87 CA2 (0.60) CYP4A11CA2CYP4F2PPARALTA4H
SCHEMBL6284205 0.85 LPL (0.52) CYP4A11CA2CYP4F2PPARALTA4H
SCHEMBL3031498 0.85 CA2 (0.59) CYP4A11CA2ALDH1A1ESR1ADRA2A
SCHEMBL81550 0.84 CA2 (0.59) CYP4A11TAAR1CA2CYP4F2PPARA
SCHEMBL10575050 0.84 TAAR1 (0.62) TAAR1CA2ALDH1A1ESR1ADRA2A
SCHEMBL547631 0.84 CA2 (0.58) CYP4A11CA2CYP4F2PPARALTA4H
SCHEMBL6287871 0.83 ALDH1A1 (0.65) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL16807168 0.82 CYP4A11 (0.46) CYP4A11TAAR1CA2CYP4F2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY VIROSTATICS SRL (IT) 2017-07-20 US disclosed
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
US-20150094465-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-04-02 US 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
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-0950087-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1999-10-20 EP disclosed
WO-1998028396-A1 COMPOSITIONS CONTAINING PERFUME QUEST INTERNATIONAL B.V. (NL) 1998-07-02 WO disclosed
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
EP-0018144-A1 A process for the preparation of substituted 2-aminopyrazines ELI LILLY AND COMPANY (US) 1980-10-29 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 (4 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD CYP4A11 1501/4885TAAR1 4754/4885CA2 4792/4885
US-20150094465-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS TNNT2, UACA, ELANE CYP4A11 4348/4885TAAR1 483/4885CA2 578/4885
US-20170204084-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVE ANTI-HIV ACTIVITY UMPS, DPYD, DUT CYP4A11 1301/4885TAAR1 4812/4885CA2 4783/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C CYP4A11 41/4885TAAR1 197/4885CA2 1060/4885

“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.