SCHEMBL5681973

SCHEMBL5681973

CCC(O)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.41
RIPK1 Q13546 2/20 0.40
AOC3 Q16853 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13849907 0.86 TAS1R3 (0.40) TAAR1IDO1RIPK1AOC3CYP3A4
SCHEMBL14402510 0.86 TAS1R3 (0.40) TAAR1IDO1RIPK1AOC3CYP3A4
SCHEMBL14402658 0.84 RIPK1 (0.42) TAAR1RIPK1LMNA
SCHEMBL14402859 0.83 TAAR1 (0.37) TAAR1RIPK1CYP3A4CYP2D6SLC6A2
SCHEMBL20376166 0.83 TAAR1 (0.43) TAAR1IDO1RIPK1AOC3CYP3A4
SCHEMBL15067498 0.83 TAAR1 (0.43) TAAR1IDO1AOC3CYP3A4CYP2D6
SCHEMBL28558103 0.83 TAAR1 (0.43) TAAR1IDO1AOC3CYP3A4CYP2D6
SCHEMBL13003567 0.83 TAAR1 (0.43) TAAR1IDO1RIPK1AOC3CYP3A4
SCHEMBL27984832 0.81 TAAR1 (0.38) TAAR1IDO1AOC3CYP3A4CYP2D6
SCHEMBL15082795 0.81 TAAR1 (0.45) TAAR1IDO1AOC3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321211-A1 Antifungal carbinols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP claimed
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
EP-1334976-B1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex TAKASAGO PERFUMERY CO LTD (JP) 2006-03-08 EP disclosed
US-6717016-B2 HAVING CHEMICAL SELECTIVITY, ENANTIOSELECTIVITY, CATALYTIC ACTIVITY; FOR USE AS A CATALYST FOR ASYMMETRIC SYNTHESES, ESPECIALLY ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-06 US disclosed
EP-1334976-A1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex Takasago International Corporation (JP) 2003-08-13 EP disclosed
US-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US disclosed
EP-0321211-A1 Antifungal carbinols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP 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 (1 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-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex PHOSPHO1, MEN1, PDCD1 TAAR1 2152/4885IDO1 1876/4885RIPK1 178/4885

“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.