SCHEMBL6097936

SCHEMBL6097936

Cc1ccc(C)c(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNMA1 Q12791 1/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
AKR1C3 P42330 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL9782367 0.89 ALDH1A1 (0.60) MAPTHTTNPC1MAPK1LMNA
SCHEMBL12909297 0.88 MAPT (0.42) MAPTHTTNPC1MAPK1F2
SCHEMBL1584825 0.87 F2 (0.59) MAPTHTTNPC1MAPK1F2
SCHEMBL14099187 0.86 LMNA (0.50) MAPTHTTNPC1MAPK1F2
SCHEMBL10175303 0.84 HTT (0.59) MAPTHTTNPC1MAPK1LMNA
SCHEMBL18196076 0.83 LMNA (0.50) MAPTHTTNPC1MAPK1F2
SCHEMBL20157554 0.83 MAPT (0.54) MAPTHTTNPC1MAPK1F2
SCHEMBL10357783 0.83 PTGS1 (0.45) MAPTHTTF2PLAUELANE
SCHEMBL5382884 0.83 MAPT (0.71) MAPTHTTNPC1MAPK1LMNA
SCHEMBL17193970 0.83 MAPT (0.54) MAPTHTTNPC1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed
US-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed
EP-2738194-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND APPLICATION THEREOF JSR Corporation (JP) 2014-06-04 EP disclosed
US-7868124-B2 Polyphenylene-type polymers, preparation method thereof, membranes and fuel cell device comprising said membranes COMMISSARIAT A L'ENGERGIE ATOMIQUE (FR) 2011-01-11 US disclosed
US-7119215-B2 Production method of citalopram, intermediate therefor and production method of the intermediate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2006-10-10 US disclosed
US-6946564-B2 Production method of an intermediate for citalopram SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-20 US disclosed
US-20040230066-A1 Production method of citalopram, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-11-18 US disclosed
US-20040138497-A1 Production method of citalopram, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-07-15 US disclosed
EP-1125907-B1 Intermediates for the production of citalopram SUMIKA FINE CHEMICALS CO LTD (JP) 2004-07-14 EP disclosed
EP-1428813-A1 Production method of citalopram and intermediates therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-06-16 EP disclosed
US-6458975-B1 1-(ALPHA-HYDROXY-P-FLUOROBENZYL)-2,4-DIMETHYLBENZENE INTERMEDIATE; PRODUCTION OF 4-(P-FLUOROBENZOYL)ISOPHTHALIC ACID AND USE AS INTERMEDIATE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-10-01 US disclosed
US-6433196-B1 REACTING 3-(DIMETHYLAMINO)PROPYL CHLORIDE IN PRESENCE OF 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND, OR TETRAMETHYLETHYLENEDIAMINE; REDUCTION, CYCLIZATION; ANTIDEPRESSANTS SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 US disclosed
US-20020095051-A1 Production method of citalopram, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-07-18 US disclosed
US-20020062040-A1 PRODUCTION METHOD OF CITALOPRAM, INTERMMEDIATE THEREFOR AND PRODUCTION METHOD OF THE INTERMEDIATE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-05-23 US disclosed
EP-1125907-A2 Intermediates for the production of citalopram SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-22 EP disclosed
EP-0101760-B1 PROCESS FOR PRODUCING FLUOROBENZOPHENONE DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-02-12 EP disclosed
US-4453009-A HALOGEN-FLUORINE EXCHANGE BETWEEN CORRESPONDING 4-HALOGENO- OR 4,4-DIHALOGENOBENZOPHENONE AND ALKALI FLUORIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1984-06-05 US disclosed
EP-0101760-A1 Process for producing fluorobenzophenone derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1984-03-07 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 (4 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-20020095051-A1 Production method of citalopram, intermediate therefor and production method of the intermediate INMT, FAR1, CYP51A1 MAPT 980/4885HTT 1712/4885NPC1 1350/4885
US-20040138497-A1 Production method of citalopram, intermediate therefor and production method of the intermediate INMT, FAR1, CYP51A1 MAPT 980/4885HTT 1712/4885NPC1 1350/4885
US-20020062040-A1 PRODUCTION METHOD OF CITALOPRAM, INTERMMEDIATE THEREFOR AND PRODUCTION METHOD OF THE INTERMEDIATE INMT, IMPDH1, HSD17B11 MAPT 1455/4885HTT 1491/4885NPC1 1610/4885
US-20040230066-A1 Production method of citalopram, intermediate therefor and production method of the intermediate INMT, FAR1, CYP51A1 MAPT 980/4885HTT 1712/4885NPC1 1350/4885

“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.