SCHEMBL12040771

SCHEMBL12040771

CC(C)c1cc(F)ccc1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL10039364 0.91 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL12197672 0.88 CYP1A2 (0.39) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL4547939 0.86 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL17310040 0.83 MEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17310116 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4547940 0.82 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL15954389 0.78 PDE2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20818058 0.78 MEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20817934 0.78 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31574281 0.78 PDE2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2020021024-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 — — WO disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 — — US disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 — — US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 — — US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 — — US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 — — US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 — — US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — 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 (6 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-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RECQL 1377/4885HRH4 4190/4885PSEN1 530/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RECQL 916/4885HRH4 4310/4885PSEN1 1629/4885
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RECQL 1134/4885HRH4 2779/4885PSEN1 569/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 RECQL 1606/4885HRH4 2735/4885PSEN1 2275/4885
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 RECQL 3912/4885HRH4 580/4885PSEN1 2485/4885
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RECQL 702/4885HRH4 4256/4885PSEN1 965/4885

“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.

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