SCHEMBL13799684

SCHEMBL13799684

C=CCc1cc(C(=C(Cl)Cl)c2ccc(O)c(CC=C)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.58
GABRB2 P47870 4/20 0.58
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ALOX5 P09917 1/20 0.46
GABRB1 P18505 1/20 0.46
RXRA P19793 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL4943834 0.82 HTT (0.61) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL8465492 0.82 HTT (0.61) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL9550443 0.81 HTT (0.60) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL4247285 0.79 HTT (0.58) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL1092424 0.79 HTT (0.71) GABRA1GABRB2HTTALDH1A1HPGD
Zinc Ion SCHEMBL9550437 0.78 HTT (0.57) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL9349415 0.78 HTT (0.57) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL12088394 0.77 GAA (0.59) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL10016276 0.76 JAK2 (0.63) GABRA1GABRB2HTTALDH1A1HPGD
SCHEMBL10426007 0.76 JAK2 (0.63) GABRA1GABRB2HTTALDH1A1HPGD

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
WO-2009072002-A2 BISPHENOLS IN CANCER THERAPY UNIVERSITY OF MANITOBA (US) 2009-06-11 WO disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 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-20080300298-A1 Honokiol Derivates For the Treatment of Proliferative Disorders CCNK, CDK3, CCNO GABRA1 4042/4885GABRB2 4180/4885HTT 1332/4885

“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.