SCHEMBL8076087

SCHEMBL8076087

CC(C)C(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
PDPK1 O15530 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MCHR1 Q99705 2/20 0.44
UTS2R Q9UKP6 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL21099895 0.85 ALDH1A1 (0.45) FFAR1L3MBTL1
SCHEMBL10206351 0.82 PIK3CA (0.49) HRH3HDAC1HDAC8UTS2RL3MBTL1
SCHEMBL266389 0.80 ALDH1A1 (0.57) FFAR1HRH3PDPK1PLAAT3PLAAT5
SCHEMBL6303062 0.80 FFAR1 (0.50) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7332151 0.80 FFAR1 (0.57) FFAR1HRH3PDPK1PLAAT3PLAAT5
SCHEMBL26730876 0.79 HRH3 (0.45) FFAR1HRH3PDPK1PLAAT3PLAAT5
SCHEMBL15132008 0.79 TAAR1 (0.47) FFAR1HRH3PDPK1PLAAT3PLAAT5
SCHEMBL27817755 0.79 FFAR1 (0.50) FFAR1HRH3PDPK1PLAAT3PLAAT5
SCHEMBL19658332 0.78 ALDH1A1 (0.59) FFAR1
SCHEMBL11801516 0.78 FFAR1 (0.55) FFAR1HRH3PDPK1PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9040519-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-26 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
US-8546381-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-29 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-1017658-A1 BENZYL-BIPHENYLS AND ANALOGOUS COMPOUNDS AND THE APPLICATION THEREOF IN ORDER TO TREAT ARTERIOSCLEROSIS AND DYSLIPIDAEMIA Bayer Aktiengesellschaft (DE) 2000-07-12 EP disclosed
WO-1999015487-A1 BENZYL-BIPHENYLS AND ANALOGOUS COMPOUNDS AND THE APPLICATION THEREOF IN ORDER TO TREAT ARTERIOSCLEROSIS AND DYSLIPIDAEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-04-01 WO 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 (8 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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FFAR1 1027/4885HRH3 4/4885PDPK1 1044/4885
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FFAR1 1027/4885HRH3 4/4885PDPK1 1044/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 FFAR1 335/4885HRH3 1634/4885PDPK1 1031/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FFAR1 1027/4885HRH3 4/4885PDPK1 1044/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FFAR1 1027/4885HRH3 4/4885PDPK1 1044/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C FFAR1 2523/4885HRH3 498/4885PDPK1 448/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C FFAR1 1027/4885HRH3 4/4885PDPK1 1044/4885
US-20130225558-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C FFAR1 2479/4885HRH3 486/4885PDPK1 417/4885

“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.