SCHEMBL9908793

SCHEMBL9908793

Cc1cc(C(=O)CCl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.48
ALDH1A1 P00352 6/20 0.45
HIF1A Q16665 2/20 0.45
TRPA1 O75762 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.44
ESRRG P62508 1/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
AR P10275 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL29269279 0.85 ESR1 (0.41) TP53ESRRGESR1ESR2TDP1
SCHEMBL8424293 0.84 GSK3B (0.52) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL5186624 0.82 ALDH1A1 (0.54) ALDH1A1TP53ESRRGESR1ESR2
SCHEMBL1259916 0.82 ESRRG (0.46) TP53ESRRGESR1ESR2TDP1
SCHEMBL43409 0.82 CA12 (0.56) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL29389757 0.82 CA12 (0.56) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL16010437 0.82 CA12 (0.56) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL4700966 0.81 GSK3B (0.57) GSK3BTP53ESRRGESR1ESR2
SCHEMBL12949980 0.81 HSD17B3 (0.50) TP53ESRRGESR1ESR2TDP1
SCHEMBL2097486 0.81 GSK3B (0.53) GSK3BALDH1A1HIF1ATRPA1MAPK1

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-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
EP-2468730-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND APPLICATION THEREOF Shenyang J & Health Pharmaceutical Co., Ltd. (CN) 2012-06-27 EP 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 GSK3B 1581/4885ALDH1A1 32/4885HIF1A 118/4885

“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.