SCHEMBL9908795

SCHEMBL9908795

C/C=C/c1cc2c(c(C)c1O)OCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 3/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TARBP2 Q15633 1/20 0.30
MITF O75030 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6989495 0.82 LMNA (0.46) LMNAHPGDALDH1A1MAPT
SCHEMBL784919 0.75 CYP3A4 (0.36) CYP3A4POLBLMNAALDH1A1TARBP2
SCHEMBL14284010 0.74 CYP3A4 (0.50) CYP3A4ATMLMNAHPGDALDH1A1
Isodillapiol SCHEMBL29378145 0.71 POLB (0.49) CYP3A4ATMPOLBLMNAHPGD
SCHEMBL14284000 0.70 CYP3A4 (0.38) CYP3A4POLBALDH1A1SMN1; SMN2
SCHEMBL14747985 0.69 KDM4E (0.46) POLBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL16900571 0.69 MEN1 (0.40) CYP3A4HPGDALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL22433011 0.68 NQO2 (0.39) CYP3A4POLBALDH1A1SMN1; SMN2TARBP2
SCHEMBL10074952 0.67 SELL (0.37) CYP3A4ESR1ESR2
SCHEMBL13972664 0.67 MAOB (0.50) CYP3A4ATM

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-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 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-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SLC5A1, VHL, AKR1A1 CYP3A4 99/4885ATM 2606/4885POLB 3039/4885

“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.