SCHEMBL7058585

SCHEMBL7058585

Cc1ccc2ccccc2c1N=Cc1cccc(C=Nc2c(C)ccc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ ALDH1A1 P00352 9/20 0.41
▸ MAPT P10636 7/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ HSD17B10 Q99714 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38

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
SCHEMBL7058583 1.00 CYP1A2 (0.43) CYP1A2TSHRCYP2A6ALDH1A1MAPT
SCHEMBL5589346 0.81 CTH (0.36) CYP1A2TSHRCYP2A6ALDH1A1MAPT
SCHEMBL5589354 0.81 CTH (0.36) CYP1A2TSHRCYP2A6ALDH1A1MAPT
SCHEMBL5587761 0.79 CTH (0.35) CYP1A2TSHRCYP2A6ALDH1A1MAPT
SCHEMBL5693787 0.79 CTH (0.35) CYP1A2TSHRCYP2A6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7174410 0.78 NR4A1 (0.36) CYP1A2TSHRALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7177279 0.78 NR4A1 (0.36) CYP1A2TSHRALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7179444 0.78 NR4A1 (0.36) CYP1A2TSHRALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7171706 0.78 NR4A1 (0.36) CYP1A2ALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7176751 0.78 NR4A1 (0.36) CYP1A2ALDH1A1KMT2AMEN1GAA

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-6670434-B2 Transition metal complex SOLVAY POLYOLEFINS EUROPE-BELGIUM (SOCIETE ANONYME) (BE) 2003-12-30 — — US disclosed
US-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2003-01-23 — — US disclosed
EP-1260515-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2002-11-27 — — EP 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-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins POLA1, ETFB, POLB CYP1A2 251/4885TSHR 3576/4885CYP2A6 341/4885

“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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