SCHEMBL6565987

SCHEMBL6565987

Nc1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
PKM P14618 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 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
SCHEMBL6714085 0.96 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6566865 0.85 GAA (0.46) ALDH1A1MAPTTDP1KDM4ECYP2C19
SCHEMBL6564692 0.85 ALOX5 (0.37) ALDH1A1MAPTMEN1KMT2ATNF
SCHEMBL6564586 0.83 SLC6A4 (0.42) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6565793 0.83 CA12 (0.37) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL6709212 0.82 IDO1 (0.45) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6568096 0.82 IDO1 (0.33) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL6565966 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6712343 0.80 IDO1 (0.47) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6564439 0.80 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 ALDH1A1 907/4885MAPT 4743/4885MEN1 4143/4885

“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.