SCHEMBL17486940

SCHEMBL17486940

O=C1CCCc2cc(CO)ccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.61
MAOB P27338 14/20 0.61
PRKCI P41743 1/20 0.61
HSD17B1 P14061 1/20 0.54
BAZ2B Q9UIF8 1/20 0.50
CYP2A6 P11509 1/20 0.48
GRM5 P41594 1/20 0.47

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
SCHEMBL26016734 0.98 MAOA (0.58) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL4805957 0.89 CASP1 (0.53) MAOAMAOBPRKCIHSD17B1GRM5
SCHEMBL14013915 0.82 MAOA (0.56) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL6794989 0.81 AKR1B1 (0.60) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL8790426 0.80 MAOA (0.54) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL11272172 0.80 MAOA (0.53) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL7507446 0.80 MAOA (0.53) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL23162895 0.79 AKR1B1 (0.61) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL7640635 0.79 MAOA (0.53) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL7127913 0.78 AKR1B1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018019-B2 Estrogen receptor-modulating compounds RADIUS PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-9954185-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2018-04-24 US disclosed
US-20170129855-A1 TETRAHYDRONAPHTHALENE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-05-11 US disclosed
US-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2016-02-04 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 (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-20160035984-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL OR10J3, SLC43A1, SLCO2A1 MAOA 1254/4885MAOB 1937/4885PRKCI 2567/4885
US-12018019-B2 Estrogen receptor-modulating compounds ESR2, GPER1, ESR1 MAOA 2604/4885MAOB 2697/4885PRKCI 1471/4885
US-20170129855-A1 TETRAHYDRONAPHTHALENE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESR1 MAOA 2115/4885MAOB 2151/4885PRKCI 3103/4885

“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.