SCHEMBL7045703

SCHEMBL7045703

CCCc1cc2cccc(O)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 3/20 0.45
GPR84 Q9NQS5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
PLAU P00749 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HTR2A P28223 2/20 0.39
CYP1A2 P05177 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
IAPP P10997 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36

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
SCHEMBL31290149 0.88 GPR84 (0.44) HSD17B1HSD17B2GPR84MEN1KMT2A
SCHEMBL7047251 0.86 HSD17B1 (0.47) HSD17B1HSD17B2MEN1KMT2AGRIN2D
SCHEMBL14536633 0.83 HMGCR (0.49) HSD17B1HSD17B2GPR84GRIN2DGRIN2A
SCHEMBL7046826 0.79 HSD17B1 (0.47) HSD17B1HSD17B2MEN1KMT2AGRIN2D
SCHEMBL31290197 0.78 TYR (0.47) MEN1KMT2AGRIN2DGRIN2AGRIN2B
SCHEMBL5083275 0.78 HSD17B1 (0.56) HSD17B1HSD17B2MEN1KMT2AGRIN2D
SCHEMBL7046736 0.77 GRIN2D (0.50) HSD17B1HSD17B2MEN1KMT2AGRIN2D
SCHEMBL2608798 0.76 HSD17B1 (0.59) HSD17B1HSD17B2MEN1KMT2AGRIN2D
SCHEMBL7048770 0.72 HSD17B1 (0.47) HSD17B1HSD17B2KMT2AGRIN2DGRIN2A
SCHEMBL5541800 0.72 CNR1 (0.52) HSD17B1HSD17B2MEN1KMT2APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030028055-A1 High quality bisphenol a and preparation process thereof MITSUI CHEMICALS, INC. (JP) 2003-02-06 US disclosed
EP-1149816-A1 HIGH-QUALITY BISPHENOL A AND PROCESS FOR PRODUCING THE SAME Mitsui Chemicals, Inc. (JP) 2001-10-31 EP 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-20030028055-A1 High quality bisphenol a and preparation process thereof TET2, PCBP1, PAH HSD17B1 1965/4885HSD17B2 1480/4885GPR84 4414/4885

“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.