SCHEMBL138591

SCHEMBL138591

C=C1CCC[C@H]1[C@@H](c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
SRC P12931 1/20 0.41
MAPT P10636 3/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL2071447 0.73 HTR2C (0.50) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL2071514 0.72 GPR84 (0.49) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL21479835 0.71 GPR84 (0.58) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL29871975 0.70 GPR84 (0.53) GPR84FFAR1MAPTHTR2AHTR2C
SCHEMBL22922689 0.70 GPR84 (0.53) GPR84FFAR1MAPTHTR2AHTR2C
SCHEMBL7271235 0.69 GPR84 (0.58) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL18364645 0.68 GPR84 (0.62) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL3343111 0.67 MAPT (0.69) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL30040360 0.67 MAPT (0.69) GPR84FFAR1SRCMAPTNR3C1
SCHEMBL10717194 0.67 NR3C1 (0.73) GPR84FFAR1SRCMAPTNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-8530687-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-09-10 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 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 (2 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-20120059182-A1 Catalysts, Methods of Makting Catalysts, and Methods of Use DKC1, ADCK1, AMD1 GPR84 3181/4885FFAR1 3853/4885SRC 3423/4885
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE SOD1, CAT, APEX1 GPR84 4868/4885FFAR1 4855/4885SRC 1062/4885

“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.