SCHEMBL19010372

SCHEMBL19010372

Cc1cccc(O)c1[C@]1(C)CCc2cccc(O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 2/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTR5A P47898 1/20 0.33
DRD2 P14416 2/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
CD44 P16070 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL23023370 0.76 BCL2L1 (0.41) BCL2L1BADALDH1A1HTR1AHTR1B
SCHEMBL24712918 0.75 HTR5A (0.35) HTR2AHTR2CHTR5ACD44
SCHEMBL19010467 0.74
SCHEMBL28739309 0.74 MAP2K1 (0.40) BCL2L1BADALDH1A1HTR1AHTR1B
SCHEMBL25027774 0.74 CD44 (0.38) ALDH1A1HTR2CHTR5ACD44MEN1
SCHEMBL29471735 0.71 BCL2L1 (0.43) BCL2L1BADALDH1A1HTR1AHTR1B
SCHEMBL3835567 0.71 BCL2L1 (0.43) BCL2L1BADALDH1A1HTR1AHTR1B
SCHEMBL13899940 0.70 HTR1A (0.38) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL9358616 0.69 BCL2L1 (0.47) BCL2L1BADALDH1A1HTR1AHTR1B
SCHEMBL14712000 0.69 KDM1A (0.42) BCL2L1BADALDH1A1HTR7HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035956-B2 Compound and liquid-crystal composition employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-07-31 US disclosed
US-20170174995-A1 COMPOUND AND LIQUID-CRYSTAL COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-22 US disclosed
US-20170174994-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-22 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-20170174995-A1 COMPOUND AND LIQUID-CRYSTAL COMPOSITION EMPLOYING THE SAME ZYX, ZRANB2, CXXC4 TRPA1 2384/4885ATM 3365/4885BCL2L1 550/4885
US-20170174994-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME ZYX, ZRANB2, CXXC4 TRPA1 2678/4885ATM 3516/4885BCL2L1 581/4885
US-10035956-B2 Compound and liquid-crystal composition employing the same ZYX, ZRANB2, CXXC4 TRPA1 2384/4885ATM 3365/4885BCL2L1 550/4885

“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.