SCHEMBL6017470

SCHEMBL6017470

CCC(C)Cc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.62
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LDHA P00338 1/20 0.53
IDO1 P14902 3/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AGXT P21549 2/20 0.45
LTA4H P09960 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13623704 1.00 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10748902 0.94 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7750491 0.94 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28296170 0.89 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL20172543 0.84 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13166015 0.84 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13166017 0.84 SLC6A4 (0.58) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL4743753 0.84 ALDH1A1 (0.54) SLC6A4CYP2D6CYP2C19LDHAKMT2A
SCHEMBL21323940 0.83 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL8931346 0.83 SMN1; SMN2 (0.51) SLC6A4CYP1A2CYP2C19LDHACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040939-B1 N-transfer reagent and method for preparing the same and its application NATIONAL CHENG KUNG UNIVERSITY (TW) 2021-06-22 US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
US-RE31715-E ESTERS OF 2-METHYLBUTYLPHENOL THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1984-10-30 US disclosed
US-4195916-A ELECTROOPTIC DISPLAY DEVICES, OPTICAL PHENOLIC ESTERS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1980-04-01 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 (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-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A SLC6A4 3758/4885CYP1A2 684/4885CYP2D6 1206/4885
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 SLC6A4 1744/4885CYP1A2 1449/4885CYP2D6 1810/4885
US-11040939-B1 N-transfer reagent and method for preparing the same and its application DNTT, NNMT, NMT1 SLC6A4 355/4885CYP1A2 547/4885CYP2D6 830/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 SLC6A4 286/4885CYP1A2 148/4885CYP2D6 72/4885

“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.