SCHEMBL9743045

SCHEMBL9743045

Oc1cccc(O)c1C/C=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PAM P19021 1/20 0.47
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
IDO1 P14902 2/20 0.42
BCHE P06276 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9743048 1.00 TRPA1 (0.48) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL28827494 0.88 ALDH1A1 (0.46) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL9747012 0.85 MAPT (0.49) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL9747014 0.85 MAPT (0.49) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL24074921 0.84 MAOA (0.43) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL8761487 0.84 MAPT (0.59) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL11203216 0.84 ALDH1A1 (0.46) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL11875055 0.84 GABRA1 (0.44) TRPA1MAPTHTTKMT2AALDH1A1
SCHEMBL31233086 0.82 KDM4E (0.50) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL24075567 0.81 GPR35 (0.45) MAPTHTTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 US disclosed
US-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2023-04-13 US disclosed
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-09 US disclosed
WO-2021237371-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2021-12-02 WO disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP 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 (3 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-20230113567-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR TRPA1 1151/4885MAPT 4076/4885HTT 875/4885
US-20210380513-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR TRPA1 1151/4885MAPT 4076/4885HTT 875/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR TRPA1 1151/4885MAPT 4076/4885HTT 875/4885

“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.