SCHEMBL12691109

SCHEMBL12691109

C=C(O)CCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SLC6A4 P31645 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HTR1D P28221 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR7 P34969 1/20 0.56

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
SCHEMBL22302371 0.90 MAPT (0.59) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL20619402 0.86 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL27551570 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL29608427 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL35884 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL29363142 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL3886256 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Ammonia Solution, Strong SCHEMBL11124631 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Lithium SCHEMBL3886262 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL3886754 0.83 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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 MEN1 602/4885KMT2A 4619/4885ALDH1A1 2715/4885

“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.

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