SCHEMBL12959366

SCHEMBL12959366

Cc1cc(CC(=O)N(C)O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
ALOX5 P09917 2/20 0.45
TDP1 Q9NUW8 3/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL24802436 0.88 ESR1 (0.55) ESR1ESR2TDP1GAATSHR
SCHEMBL28492275 0.80 ESR1 (0.63) ESR1ESR2TDP1GAATSHR
SCHEMBL1362192 0.78 HPGD (0.68) ESR1ESR2TDP1GAATSHR
SCHEMBL4023960 0.78 ESR1 (0.61) ESR1ESR2TDP1GAATSHR
SCHEMBL30523685 0.78 HPGD (0.68) ESR1ESR2TDP1GAATSHR
SCHEMBL23276708 0.77 ESR1 (0.59) ESR1ESR2TDP1GAATSHR
SCHEMBL2796509 0.77 ESR1 (0.59) ESR1ESR2TDP1GAATSHR
SCHEMBL3649411 0.76 ESR1 (0.53) ESR1ESR2TDP1GAATSHR
SCHEMBL8733751 0.75 ESR1 (0.57) ESR1ESR2TDP1GAATSHR
SCHEMBL2127019 0.74 GAA (0.68) ESR1ESR2TDP1GAATSHR

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-9422233-B2 Vanilloid fatty hydroxamates as therapeutic anti-inflammatory pharmaceuticals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-23 US disclosed
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-04 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-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals FAAH, FAAH2, TRPV1 ESR1 3492/4885ESR2 3193/4885ALOX5 99/4885

“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.