SCHEMBL7513299

SCHEMBL7513299

CC1(C)COC(c2ccccc2-c2ccc(C(F)(F)F)cc2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KIF11 P52732 1/20 0.39
IL2 P60568 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL7937331 0.85 FABP4 (0.42) KDM4EHTTLMNAMAPTIL2
SCHEMBL954192 0.85 LMNA (0.48) KDM4EHTTLMNAMAPTKIF11
SCHEMBL10835648 0.84 KDM4E (0.50) KDM4EHTTLMNAMAPTIL2
SCHEMBL7112634 0.84 KDM4E (0.53) KDM4EHTTLMNAMAPTIL2
SCHEMBL371 0.82 KDM4E (0.49) KDM4EHTTLMNAMAPTIL2
SCHEMBL18380643 0.82 KDM4E (0.61) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL29616919 0.82 KDM4E (0.61) KDM4EHTTLMNAMAPTALDH1A1
SCHEMBL11491135 0.81 KDM4E (0.47) KDM4EHTTLMNAMAPTIL2
SCHEMBL7004170 0.79 KDM4E (0.45) KDM4EHTTLMNAMAPTIL2
SCHEMBL7014834 0.78 KDM4E (0.37) KDM4EHTTLMNAMAPTIL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122234-A9 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2002-01-16 EP disclosed
US-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-09-06 US disclosed
EP-1122234-A2 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-08-08 EP disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 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-20010020110-A1 Production methods of alpha, alpha, alpha-trifluoromethylphenyl-substituted benzoic acid and intermediate therefor SLC6A11, CYP4F11, SLC39A11 KDM4E 3088/4885HTT 945/4885LMNA 3951/4885

“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.