SCHEMBL1055192

SCHEMBL1055192

C=CCCCC(=O)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.49
WNT3A P56704 8/20 0.49
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
GPR52 Q9Y2T5 1/20 0.44
CHRM1 P11229 3/20 0.44
DRD2 P14416 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9058773 0.81 CYP19A1 (0.50) CTNNB1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16313719 0.80 MAPT (0.44) CTNNB1WNT3AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15979740 0.80 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1L3MBTL1
SCHEMBL30089517 0.80 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1L3MBTL1
SCHEMBL29087057 0.79 CTNNB1 (0.51) CTNNB1WNT3AERCC5FEN1CHRM1
SCHEMBL7914414 0.79 ERCC5 (0.58) CTNNB1WNT3AERCC5FEN1CHRM1
SCHEMBL29634736 0.79 ERCC5 (0.58) CTNNB1WNT3AERCC5FEN1CHRM1
SCHEMBL4936709 0.79 CHRM1 (0.58) CTNNB1WNT3AERCC5FEN1CHRM1
SCHEMBL4446464 0.78 GPR52 (0.48) GPR52ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3628970 0.77 CTNNB1 (0.53) CTNNB1WNT3AERCC5FEN1GPR52

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-8563665-B2 Modified naphthalene formaldehyde resin, tricyclodecane skeleton-containing naphthol compound and ester compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-10-22 US disclosed
US-8524952-B2 Modified naphthalene formaldehyde resin, tricyclodecane skeleton-containing naphthol compound and ester compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-09-03 US disclosed
US-20120238781-A1 MODIFIED NAPHTHALENE FORMALDEHYDE RESIN, TRICYCLODECANE SKELETON-CONTAINING NAPHTHOL COMPOUND AND ESTER COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-09-20 US disclosed
US-20110009574-A1 MODIFIED NAPHTHALENE FORMALDEHYDE RESIN, TRICYCLODECANE SKELETON-CONTAINING NAPHTHOL COMPOUND AND ESTER COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-13 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 (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-20120238781-A1 MODIFIED NAPHTHALENE FORMALDEHYDE RESIN, TRICYCLODECANE SKELETON-CONTAINING NAPHTHOL COMPOUND AND ESTER COMPOUND NOC2L, PFAS, FBL CTNNB1 1870/4885WNT3A 4587/4885ERCC5 130/4885
US-20110009574-A1 MODIFIED NAPHTHALENE FORMALDEHYDE RESIN, TRICYCLODECANE SKELETON-CONTAINING NAPHTHOL COMPOUND AND ESTER COMPOUND NEFM, DNTT, MLLT3 CTNNB1 32/4885WNT3A 1060/4885ERCC5 498/4885

“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.