SCHEMBL12607303

SCHEMBL12607303

Cc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.77
▸ ALDH1A1 P00352 7/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 4/20 0.43
▸ CD44 P16070 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ESR2 Q92731 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 2/20 0.39

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
SCHEMBL43509 0.88 CYP3A4 (1.00) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL30097830 0.88 CYP3A4 (1.00) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL12107538 0.88 CYP3A4 (0.54) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL8765734 0.86 CYP3A4 (0.95) CYP3A4ALDH1A1GAAKDM4EMAPT
Ammonia Solution, Strong SCHEMBL9140534 0.86 CYP3A4 (0.95) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL12706760 0.82 CYP3A4 (0.48) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL11058899 0.82 CYP3A4 (0.87) CYP3A4ALDH1A1GAAKDM4EMAPT
Toluene SCHEMBL9700648 0.81 CYP3A4 (0.71) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL25128158 0.80 CYP3A4 (0.69) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL5271470 0.80 CYP3A4 (0.83) CYP3A4ALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511320-B2 Polyimide-based macromolecular compound and gas-separation asymmetrical hollow-fibre membrane comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-12-06 — — US disclosed
US-20150217225-A1 POLYMIDE-BASED MACROMOLECULAR COMPOUND AND GAS-SEPARATION ASYMMETRICAL HOLLOW-FIBRE MEMBRANE COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-08-06 — — US disclosed
US-8765781-B2 Bis-carbazole DNA intercalating agents for antitumor therapy TRUSTEES OF DARTMOUTH COLLEGE (US) 2014-07-01 — — US disclosed
US-20110118296-A1 Bis-Carbazole DNA Intercalating Agents for Antitumor Therapy TRUSTEES OF DARTMOUTH COLLEGE 2011-05-19 — — 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-20110118296-A1 Bis-Carbazole DNA Intercalating Agents for Antitumor Therapy TOP1, TOP2A, TOP2B CYP3A4 2329/4885ALDH1A1 2612/4885GAA 1418/4885

“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.

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