SCHEMBL20029441

SCHEMBL20029441

C/C=C1/C(=O)C(C)(C)c2cccc(C)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDPK1 O15530 1/20 0.33
KDR P35968 1/20 0.33
RET P07949 1/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PDK2 Q15119 3/20 0.32
CD44 P16070 1/20 0.31
TYMS P04818 1/20 0.31
PDK4 Q16654 1/20 0.31
LCK P06239 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
ERBB2 P04626 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL19860962 0.69 DAO (0.43) CA1CA2CA7CA9PDPK1
SCHEMBL28349484 0.68 CA1 (0.44) CA1CA2CA7CA9PDPK1
SCHEMBL1589873 0.66 PDK2 (0.44) CA1CA2CA7CA9PDK2
SCHEMBL23095370 0.66 CA1 (0.42) CA1CA2CA7CA9
SCHEMBL21706492 0.66 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL19113478 0.64 PDK2 (0.56) CA1CA2CA7CA9PDK2
SCHEMBL1031388 0.64 PDK2 (0.43) CA1CA2CA7CA9PDK2
SCHEMBL20886844 0.64 MDM2 (0.38) CA1CA2CA7CA9PDK2
SCHEMBL24489439 0.63 ALDH1A1 (0.50)
SCHEMBL12718616 0.63 PSMB1 (0.40) CA1CA2CA7CA9CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180095368-A1 COMPOUND, RESIN, AND PURIFICATION METHOD THEREOF, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM, AND UNDERLAYER FILM, AS WELL AS RESIST PATTERN FORMING METHOD AND CIRCUIT PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-04-05 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-20180095368-A1 COMPOUND, RESIN, AND PURIFICATION METHOD THEREOF, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM, AND UNDERLAYER FILM, AS WELL AS RESIST PATTERN FORMING METHOD AND CIRCUIT PATTERN FORMING METHOD C5, PRMT9, C9 CA1 199/4885CA2 1401/4885CA7 1331/4885

“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.