SCHEMBL2138741

SCHEMBL2138741

Fc1ccc(F)c(-c2nc3ccccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPT P10636 6/20 0.51
HPGD P15428 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HSD17B10 Q99714 4/20 0.51
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KDM6B O15054 1/20 0.51
KDM6A O15550 1/20 0.51
USP2 O75604 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46

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
SCHEMBL7573904 0.87 KDM4E (0.51) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL31048496 0.83 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3257379 0.83 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL13522795 0.82 MAPT (0.47) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL7578683 0.81 ESR1 (0.52) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL28395976 0.81 MAPT (0.55) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL31048585 0.81 KDM4E (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL7629796 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL5834905 0.79 MMP2 (0.63) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL3038438 0.79 MMP2 (0.52) ALDH1A1KDM4EMAPTHPGDNPC1

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-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885MAPT 3403/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885MAPT 3403/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ALDH1A1 1191/4885KDM4E 3428/4885MAPT 3403/4885

“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.