SCHEMBL7043669

SCHEMBL7043669

Cc1cc(C(C)C)c2cccc(O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2B P41595 2/20 0.46
TRPA1 O75762 2/20 0.46
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
GABRA1 P14867 3/20 0.45
GABRB2 P47870 2/20 0.45
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 4/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
FAAH O00519 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL15267174 0.78 GABRA1 (0.60) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL9232253 0.78 LMNA (0.48) LMNATRPA1CYP3A4CYP1A2HPGD
SCHEMBL5083260 0.76 CYP1A2 (0.48) LMNATRPA1CYP1A2HPGDTSHR
SCHEMBL30365067 0.76 CYP1A2 (0.48) LMNATRPA1CYP1A2HPGDTSHR
SCHEMBL26002535 0.73 GABRA1 (0.48) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL21410618 0.71 LMNA (0.43) LMNASLC6A2HTR2BTRPA1CHRM1
Thymol SCHEMBL6892142 0.71 TRPA1 (0.66) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL11427753 0.71 GABRA1 (0.50) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL6366989 0.71 CYP1A2 (0.57) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL7049718 0.70 GABRA1 (0.42) GABRA1GABRB2CYP3A4CYP1A2CA1

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 LMNA 583/4885SLC6A2 2900/4885HTR2B 3331/4885

“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.