SCHEMBL162926

SCHEMBL162926

[O]c1cc(C(=O)O)cc2cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN1 P18031 1/20 0.43
MGAM O43451 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
GAA P10253 1/20 0.41
P2RY14 Q15391 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL163552 0.85 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL163690 0.84 KDM4E (0.51) KDM4EALDH1A1CYP2C19HSD17B10CES2
SCHEMBL1355689 0.81 PTPN1 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL162792 0.80 TSHR (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL163477 0.80 PLK1 (0.44) KDM4EALDH1A1HPGDTSHRPSMD14
SCHEMBL163498 0.76 HDAC3 (0.43) MEN1KMT2AALDH1A1NR1H4
SCHEMBL163995 0.76 ABCG2 (0.38) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL162474 0.76 MEN1 (0.46) MEN1KMT2A
SCHEMBL165080 0.76 BRD4 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL160305 0.76 CA12 (0.50) MEN1KMT2AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 MEN1 4776/4885KMT2A 2544/4885KDM4E 2214/4885

“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.