SCHEMBL436095

SCHEMBL436095

COc1ccc2c(C)c(C)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 10/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HCRTR1 O43613 1/20 0.51
STING1 Q86WV6 1/20 0.49
HSD17B10 Q99714 5/20 0.48
DYRK1A Q13627 2/20 0.48
DYRK3 O43781 1/20 0.48
CCNT1 O60563 1/20 0.48
CCNB2 O95067 1/20 0.48
CYP1A2 P05177 1/20 0.48
CDK1 P06493 1/20 0.48

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
SCHEMBL8549899 0.82 KDM4E (0.54) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL16695703 0.82 KDM4E (0.54) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL26768225 0.81 KDM4E (0.60) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL29853502 0.81 KDM4E (0.60) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL9225121 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2CDK4
SCHEMBL31498186 0.80 KDM4E (0.59) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL5196745 0.80 KDM4E (0.59) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL1120906 0.78 KDM4E (0.61) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL394584 0.77 KDM4E (1.00) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2
SCHEMBL30634405 0.77 KDM4E (1.00) KDM4EALDH1A1RXFP1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH KDM4E 3857/4885ALDH1A1 461/4885RXFP1 1159/4885

“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.