SCHEMBL6096428

SCHEMBL6096428

Cc1cccc(C)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
LTA4H P09960 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 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
SCHEMBL10954021 0.87 KDM4E (0.43) KDM4ELTA4HCES2CES1KMT2A
SCHEMBL10480661 0.86 KDM4E (0.60) KDM4EKMT2AMEN1HTTNPC1
SCHEMBL9726573 0.82 KMT2A (0.57) KDM4ELTA4HCES2CES1KMT2A
SCHEMBL806809 0.82 LTA4H (0.47) KDM4ELTA4HCES2CES1KMT2A
SCHEMBL3039645 0.80 ALDH1A1 (0.59) CES2CES1KMT2AMEN1TSHR
SCHEMBL1584375 0.80 KMT2A (0.56) KDM4ELTA4HKMT2AMEN1HTT
SCHEMBL11612501 0.79 ALDH1A1 (0.48) KDM4EKMT2AMEN1TSHRCA1
SCHEMBL29983601 0.79 LTA4H (0.70) KDM4ELTA4HCES2CES1HTT
SCHEMBL30632245 0.79 LTA4H (0.70) KDM4ELTA4HCES2CES1HTT
SCHEMBL28566705 0.78 CES2 (0.56) KDM4ELTA4HCES2CES1KMT2A

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 14 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-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

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 KDM4E 2317/4885LTA4H 3525/4885CES2 911/4885
US-20040138497-A1 Production method of citalopram, intermediate therefor and production method of the intermediate INMT, FAR1, CYP51A1 KDM4E 2317/4885LTA4H 3525/4885CES2 911/4885
US-20020062040-A1 PRODUCTION METHOD OF CITALOPRAM, INTERMMEDIATE THEREFOR AND PRODUCTION METHOD OF THE INTERMEDIATE INMT, IMPDH1, HSD17B11 KDM4E 2934/4885LTA4H 2915/4885CES2 570/4885
US-20040230066-A1 Production method of citalopram, intermediate therefor and production method of the intermediate INMT, FAR1, CYP51A1 KDM4E 2317/4885LTA4H 3525/4885CES2 911/4885

“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.