SCHEMBL6749115

SCHEMBL6749115

Cc1ccc2c(Cl)c3ccccc3c(Cl)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.43
CYP2A6 P11509 5/20 0.43
TSHR P16473 4/20 0.43
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
HSD17B10 Q99714 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4645969 0.78 CYP1A2 (0.46) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL29177997 0.75 CYP1A2 (0.52) CYP1A2CYP2A6TSHRHSD17B10L3MBTL1
SCHEMBL4644475 0.74 MAOA (0.46) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL28671657 0.71 CYP1A2 (0.45) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL9041013 0.71 CYP1A2 (0.50) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL29440644 0.71 MAOA (0.58) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL147819 0.71 MAOA (0.58) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL29000573 0.70 CYP2A6 (0.52) CYP1A2CYP2A6TSHRMAOAMAOB
SCHEMBL11506343 0.69 AXL (0.41) CYP1A2CYP2A6TSHRMAOAHSD17B10
SCHEMBL11530157 0.69 CYP1A2 (0.50) CYP1A2CYP2A6TSHRMAOAMAOB

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-6709772-B2 SILICONE-PYRROLE COMPOUND MITSUMI ELECTRIC CO., LTD. (JP) 2004-03-23 US disclosed
US-20030087128-A1 Organic electrically conductive compound and an organic electroluminescent device including the compound MITSUMI ELECTRIC CO., LTD. (JP) 2003-05-08 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-20030087128-A1 Organic electrically conductive compound and an organic electroluminescent device including the compound KCNT1, KCNJ2, KCNA1 CYP1A2 968/4885CYP2A6 3219/4885TSHR 2819/4885

“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.