SCHEMBL5951860

SCHEMBL5951860

CCC(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.50
CES2 O00748 2/20 0.46
MRGPRX4 Q96LA9 3/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42
SORT1 Q99523 1/20 0.42
USP2 O75604 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
SCHEMBL27643680 0.87 JAK2 (0.50) PDE2ACES2MRGPRX4ALDH1A1KDM4E
SCHEMBL8493470 0.84 ALDH1A1 (0.48) PDE2ACES2MRGPRX4ALDH1A1KDM4E
SCHEMBL9526674 0.83 PTPN1 (0.54) PDE2ACES2MRGPRX4ALDH1A1KDM4E
SCHEMBL14054107 0.83 CES2 (0.49) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24451071 0.81 HSP90AB1 (0.61) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26056992 0.81 CES2 (0.66) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2075208 0.81 GAA (0.54) PDE2ACES2ALDH1A1KDM4EHPGD
SCHEMBL30688747 0.81 ALDH1A1 (0.45) PDE2ACES2MRGPRX4ALDH1A1KDM4E
SCHEMBL6495907 0.81 PDE2A (0.50) PDE2ACES2MRGPRX4ALDH1A1KDM4E
SCHEMBL30482175 0.81 PDE2A (0.50) PDE2ACES2MRGPRX4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
US-5880135-A ANTAGONIST ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING HORMONE SANOFI (FR) 1999-03-09 US disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 WO disclosed
EP-0833822-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000868-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1997-01-09 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A PDE2A 1784/4885CES2 1925/4885MRGPRX4 4351/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 PDE2A 2048/4885CES2 1961/4885MRGPRX4 4352/4885

“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.