SCHEMBL20533982

SCHEMBL20533982

C=C(CC(C)(C(=O)OC)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.43
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
SRC P12931 1/20 0.42
ELANE P08246 1/20 0.42
KCNN4 O15554 1/20 0.41
ESRRB O95718 2/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL20534301 0.87 ESR1 (0.43) PRSS1CTSGCTRB1CMA1ESR1
SCHEMBL5884520 0.79 SRC (0.49) PRSS1CTSGCTRB1CMA1SRC
SCHEMBL27484083 0.76 KCNN4 (0.53) PRSS1CTSGCTRB1CMA1SRC
SCHEMBL29074073 0.76 ESR1 (0.42) ELANEKCNN4ESRRBESR1ESR2
SCHEMBL26966855 0.74 ESR1 (0.41) ELANEKCNN4ESRRBESR1ESR2
SCHEMBL10982127 0.74 KCNN4 (0.58) PRSS1CTSGCTRB1CMA1SRC
SCHEMBL9778358 0.72 CHRM2 (0.57) SRCELANEKCNN4ESR1ESR2
SCHEMBL26966854 0.72 ESR1 (0.39) ELANEKCNN4ESRRBESR1ESR2
SCHEMBL27794813 0.71 ESR1 (0.53) ESR1ESR2ALDH1A1CYP3A4CHRM2
SCHEMBL4953286 0.71 KCNN4 (0.58) PRSS1CTSGCTRB1CMA1SRC

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-10590056-B2 ERR modulators and uses thereof CITY OF HOPE (US) 2020-03-17 US disclosed
US-20180297923-A1 ERR MODULATORS AND USES THEREOF CITY OF HOPE 2018-10-18 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-20180297923-A1 ERR MODULATORS AND USES THEREOF ESRRA, ESRRB, ESRRG PRSS1 4272/4885CTSG 3658/4885CTRB1 2337/4885
US-10590056-B2 ERR modulators and uses thereof ESRRA, ESRRB, ESRRG PRSS1 4272/4885CTSG 3658/4885CTRB1 2337/4885

“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.