SCHEMBL6036982

SCHEMBL6036982

Oc1cc(O)cc(C=Cc2ccncc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.64
KDM4E B2RXH2 5/20 0.64
PTGS1 P23219 5/20 0.64
LMNA P02545 4/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C9 P11712 4/20 0.64
HPGD P15428 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TTR P02766 4/20 0.64
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 3/20 0.64
TP53 P04637 3/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 3/20 0.64
HIF1A Q16665 3/20 0.64
HSD17B10 Q99714 3/20 0.64
CYP2C19 P33261 3/20 0.64
ALOX5 P09917 3/20 0.64
CYP1A1 P04798 3/20 0.64
CYP1B1 Q16678 3/20 0.64

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
SCHEMBL6036979 1.00 CYP1A2 (0.64) CYP1A2KDM4EPTGS1LMNACYP3A4
SCHEMBL9605438 0.83 CYP1A1 (0.80) CYP1A2KDM4EPTGS1LMNACYP3A4
SCHEMBL15901869 0.83 CYP1A2 (0.61) CYP1A2KDM4ECYP3A4CYP2C9HPGD
SCHEMBL13907330 0.83 CYP1A2 (0.61) CYP1A2KDM4ECYP3A4CYP2C9HPGD
SCHEMBL987852 0.81 RAB9A (0.57) CYP1A2KDM4EPTGS1LMNACYP3A4
SCHEMBL987851 0.81 RAB9A (0.57) CYP1A2KDM4EPTGS1LMNACYP3A4
SCHEMBL6853217 0.81 ROCK2 (0.61) CYP1A2KDM4ECYP3A4CYP2C9HPGD
SCHEMBL6853224 0.81 ROCK2 (0.61) CYP1A2KDM4ECYP3A4CYP2C9HPGD
SCHEMBL9126344 0.81 LCK (0.64) CYP1A2HPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL9126350 0.81 LCK (0.64) CYP1A2HPGDSMN1; SMN2MEN1ALDH1A1

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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 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 (2 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-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 CYP1A2 4435/4885KDM4E 640/4885PTGS1 4289/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 CYP1A2 4435/4885KDM4E 640/4885PTGS1 4289/4885

“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.