SCHEMBL12537686

SCHEMBL12537686

COC(CC(=O)O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MMP12 P39900 1/20 0.43
ALOX15 P16050 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1538040 0.88 ALOX15 (0.48) MTNR1AMTNR1BMMP12ALOX15PPARG
SCHEMBL29208313 0.79 CA4 (0.41) MTNR1AMTNR1BPPARGPPARAGAA
SCHEMBL11143140 0.78 CA4 (0.44) MTNR1AMTNR1BPPARGPPARATSHR
SCHEMBL1418060 0.77 MTNR1A (0.59) MTNR1AMTNR1BALOX15GAANPC1
SCHEMBL28444649 0.76 MTNR1A (0.44) MTNR1AMTNR1BALOX15PPARGPPARA
SCHEMBL906209 0.76 MMP9 (0.45) GAATSHR
SCHEMBL9417319 0.75 KMT2A (0.47) MTNR1AMTNR1BPPARGPPARATSHR
SCHEMBL2211661 0.75 ALDH1A1 (0.51) ALOX15HTTRECQLCYP1A2CYP2C9
SCHEMBL11338367 0.75 PPARG (0.57) ALOX15PPARGPPARAHTTNPC1
SCHEMBL607414 0.75

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME MOUNT SINAI SCHOOL OF MEDICINE 2012-09-27 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-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME TAS1R3, TAS2R3, TAS1R1 MTNR1A 117/4885MTNR1B 144/4885MMP12 4772/4885

“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.