SCHEMBL8933391

SCHEMBL8933391

COc1ccc(CC(C)Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.64
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LDHA P00338 1/20 0.55
IDO1 P14902 3/20 0.50
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
CMA1 P23946 1/20 0.47
AGXT P21549 2/20 0.47

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
SCHEMBL28028102 0.83 TAAR1 (0.42) SLC6A4TAAR1
SCHEMBL29018022 0.83 LDHA (0.60) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL104850 0.82 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28296170 0.82 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL16383175 0.82 SLC6A4 (0.69) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL11538137 0.81 SLC6A4 (0.57) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10345906 0.81 SLC6A4 (0.68) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Ammonia Solution, Strong SCHEMBL8170665 0.80 SLC6A4 (0.67) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6555827 0.79 HTT (0.59) SLC6A4KDM4EALDH1A1MAPTTAAR1
SCHEMBL24630912 0.78 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US claimed
US-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US disclosed
WO-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO 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-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE PARK7, DBH, SNCA SLC6A4 3444/4885CYP1A2 65/4885CYP2D6 56/4885

“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.