SCHEMBL13533360

SCHEMBL13533360

CC(C)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
PTPN5 P54829 4/20 0.54
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
AGXT P21549 1/20 0.43
ESR2 Q92731 1/20 0.42
JAK2 O60674 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
CTSA P10619 1/20 0.42
HSD17B2 P37059 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP17A1 P05093 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29359636 1.00 RXRA (0.59) RXRARXRBRXRGPTPN5ATM
SCHEMBL598181 0.87 RXRA (0.66) RXRARXRBRXRGPTPN5ATM
SCHEMBL13119197 0.86 TAAR1 (0.53) RXRARXRBRXRGPTPN5ATM
SCHEMBL5355878 0.85 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
SCHEMBL29727265 0.85 RXRA (0.65) RXRARXRBRXRGPTPN5HDAC4
Ethane SCHEMBL6908245 0.85 RXRA (0.63) RXRARXRBRXRGPTPN5ATM
SCHEMBL5352034 0.85 RXRA (0.62) RXRARXRBRXRGPTPN5ATM
SCHEMBL24910413 0.84 RXRA (0.50) RXRARXRBRXRGPTPN5ATM
SCHEMBL9874684 0.83 ATM (0.44) RXRARXRBRXRGPTPN5ATM
SCHEMBL611807 0.83 RXRA (0.67) RXRARXRBRXRGPTPN5HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 EP disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 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 (13 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 RXRA 707/4885RXRB 603/4885RXRG 559/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A RXRA 768/4885RXRB 693/4885RXRG 564/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK RXRA 1414/4885RXRB 1016/4885RXRG 1022/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 RXRA 2243/4885RXRB 2412/4885RXRG 2367/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 RXRA 707/4885RXRB 603/4885RXRG 559/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RXRA 396/4885RXRB 581/4885RXRG 365/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 RXRA 1972/4885RXRB 1765/4885RXRG 2385/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC RXRA 2013/4885RXRB 1550/4885RXRG 1124/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RXRA 1408/4885RXRB 1416/4885RXRG 1133/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 RXRA 3626/4885RXRB 2976/4885RXRG 3421/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 RXRA 36/4885RXRB 35/4885RXRG 31/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC RXRA 2013/4885RXRB 1550/4885RXRG 1124/4885

“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.