SCHEMBL10022975

SCHEMBL10022975

CC1c2ccccc2-c2cccc(-c3ccc(C=O)cc3)c21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
CYP2A6 P11509 4/20 0.35
ALDH1A1 P00352 4/20 0.35
ELANE P08246 1/20 0.34
NAT1 P18440 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TYR P14679 1/20 0.31
GPR3 P46089 1/20 0.31
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL10022967 0.76 MKNK1 (0.40) DRD1DRD2CHRNB2CHRNA4
SCHEMBL1666926 0.73 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29733602 0.71 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29733609 0.71 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL31121357 0.70 PGR (0.41) HTR7
SCHEMBL35966 0.69 ALDH1A1 (0.59) DRD1DRD2DRD4DRD5DRD3
SCHEMBL30498620 0.69 DRD1 (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL20294451 0.69 DRD1 (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29438438 0.69 CA12 (0.52) DRD1DRD2DRD4DRD5DRD3
SCHEMBL1313610 0.69 CA12 (0.52) DRD1DRD2DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932797-B2 Photoacid generators DOW GLOBAL TECHNOLOGIES LLC (US) 2015-01-13 US disclosed
US-8907122-B2 Method of preparing photoacid generating monomer ROHM AND HAAS ELECTRONIC MATERIAL LLC (US) 2014-12-09 US disclosed
US-8716518-B2 Photoacid generating monomer and precursor thereof ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2014-05-06 US disclosed
US-20120172555-A1 PHOTOACID GENERATING MONOMER AND PRECURSOR THEREOF DOW GLOBAL TECHNOLOGIES LLC 2012-07-05 US disclosed
US-20120172619-A1 METHOD OF PREPARING PHOTOACID GENERATING MONOMER ROHM AND HAAS ELECTRONIC MATERIALS LLC 2012-07-05 US disclosed
US-20120141939-A1 PHOTOACID GENERATORS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2012-06-07 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-20120141939-A1 PHOTOACID GENERATORS F10, GNG2, H1-0 DRD1 2367/4885DRD2 3064/4885DRD4 3310/4885
US-20120172555-A1 PHOTOACID GENERATING MONOMER AND PRECURSOR THEREOF SULT1A1, SULT1E1, SULT2A1 DRD1 340/4885DRD2 728/4885DRD4 895/4885
US-20120172619-A1 METHOD OF PREPARING PHOTOACID GENERATING MONOMER POLL, SULT1A1, SULT1E1 DRD1 1584/4885DRD2 2713/4885DRD4 2435/4885

“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.