SCHEMBL3746558

SCHEMBL3746558

OC(c1ccccc1Cl)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 2/20 0.43
AOC3 Q16853 1/20 0.42
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ACP3 P15309 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
IDO2 Q6ZQW0 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37

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
SCHEMBL14321246 0.83 CYP2D6 (0.47) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL30606564 0.82 CFD (0.41) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL10416174 0.82 HIF1A (0.41) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL26599132 0.82 CFD (0.41) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL2058870 0.80 TSHR (0.50) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL14663977 0.78 HIF1A (0.53) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL14663994 0.78 HIF1A (0.53) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL16276059 0.78 HIF1A (0.53) HIF1AADRB2ADRB1CYP2D6NFKB1
SCHEMBL17061810 0.78 PDE2A (0.43)
SCHEMBL14321599 0.77 TSHR (0.41) TSHRALDH1A1LMNAMAPTCYP3A4

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-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and RHODIA CHIMIE, FRANCE 2003-07-31 US claimed
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium RHODIA CHIMIE (FR) 2001-06-21 US claimed
EP-1082284-A1 CONDENSATION METHOD FOR A CARBONYL COMPOUND ON AN AROMATIC DERIVATIVE IN A BASIC MEDIUM RHODIA CHIMIE (FR) 2001-03-14 EP claimed
WO-1999062853-A1 CONDENSATION METHOD FOR A CARBONYL COMPOUND ON AN AROMATIC DERIVATIVE IN A BASIC MEDIUM RHODIA CHIMIE (FR) 1999-12-09 WO claimed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and RHODIA CHIMIE, FRANCE 2003-07-31 US disclosed
US-6541674-B2 Electron-withdrawing group present on carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitrites and condensation is carried out in basic medium RHODIA CHIMIE (FR) 2003-04-01 US disclosed
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium RHODIA CHIMIE (FR) 2001-06-21 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 (3 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B HIF1A 3696/4885ADRB2 3949/4885ADRB1 2580/4885
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium NCAPH, ODC1, NCAPD2 HIF1A 1122/4885ADRB2 2013/4885ADRB1 2320/4885
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and ECE2, HCN4, ETV6 HIF1A 2158/4885ADRB2 1876/4885ADRB1 2750/4885

“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.