SCHEMBL4059293

SCHEMBL4059293

CCCOc1ccc(C#Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.56
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
PLK1 P53350 1/20 0.50
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL4057232 0.88 L3MBTL1 (0.53) ADRB2ADRB1ADRB3L3MBTL1PLK1
SCHEMBL4064862 0.83 ACACB (0.60) ACACBL3MBTL1
SCHEMBL4066104 0.81 GABRA1 (0.49) ACACBL3MBTL1PLK1GABRA1GABRG2
SCHEMBL578611 0.80 MAPT (0.54) ADRB2ADRB1ADRB3L3MBTL1MAPT
SCHEMBL11887264 0.80 PARP10 (0.58) L3MBTL1PLK1MAPT
SCHEMBL6780458 0.79 MAPT (0.53) ADRB2ADRB1ADRB3L3MBTL1MAPT
SCHEMBL7409800 0.79 MAPT (0.53) ADRB2ADRB1ADRB3L3MBTL1MAPT
SCHEMBL4843176 0.79 MAPT (0.53) ADRB2ADRB1ADRB3L3MBTL1MAPT
SCHEMBL14926650 0.79 PLK1 (0.52) ACACBADRB2ADRB1ADRB3L3MBTL1
SCHEMBL4061895 0.79 ELANE (0.59) ACACBADRB2ADRB1ADRB3L3MBTL1

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM ACACB 4685/4885ADRB2 4137/4885ADRB1 3303/4885

“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.