SCHEMBL23965441

SCHEMBL23965441

OCCOc1ccc2cc(C#Cc3ccccc3)ccc2c1-c1c(O)ccc2cc(C#Cc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
ASIC3 Q9UHC3 2/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HNF4A P41235 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
HSD17B1 P14061 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B2 P37059 2/20 0.38
GRM5 P41594 1/20 0.38
FFAR1 O14842 3/20 0.36
CHEK1 O14757 1/20 0.35
APP P05067 2/20 0.34

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
SCHEMBL23986574 0.94 IDO1 (0.49) IDO1ALOX5ALDH1A1RECQLESR1
SCHEMBL30536496 0.94 ASIC3 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL21858952 0.94 ASIC3 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL30536490 0.94 ASIC3 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL30536495 0.87 IDO1 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL21858514 0.87 IDO1 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL30536494 0.87 IDO1 (0.44) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL23986705 0.85 FFAR1 (0.39) IDO1ASIC3ALDH1A1RECQLGRM5
SCHEMBL23986581 0.85 CYP1A1 (0.46) IDO1ASIC3ALOX5ALDH1A1RECQL
SCHEMBL21950437 0.84 ASIC3 (0.37) IDO1ASIC3ALDH1A1RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 US disclosed
EP-3904442-A1 RESIN COMPOSITION, MOLDED BODY, OPTICAL LENS, AND OPTICAL LENS UNIT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-11-03 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 (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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 IDO1 2883/4885ASIC3 1634/4885ALOX5 196/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R IDO1 3072/4885ASIC3 1443/4885ALOX5 176/4885

“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.