SCHEMBL5458998

SCHEMBL5458998

COc1cc2c(cc1OC)CC(C)N[C]2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 3/20 0.40
MAOA P21397 3/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1011095 0.69 PNMT (0.51) CYP3A4MAPTACHEMAOATSHR
Hydrochloric Acid SCHEMBL5708777 0.68 PNMT (0.50) CYP3A4MAPTACHEMAOATSHR
SCHEMBL6948172 0.68 MAOA (0.45) CYP3A4MAPTMAOATSHRALDH1A1
SCHEMBL10202241 0.68 ACHE (0.50) CYP3A4MAPTACHEMAOATSHR
SCHEMBL1828173 0.67 TSHR (0.42) ACHETSHR
SCHEMBL5458995 0.67 CYP3A4 (0.42) CYP3A4MAPTACHEMAOATSHR
SCHEMBL12891538 0.66 CYP3A4 (0.56) CYP3A4MAPTACHEMAOATSHR
SCHEMBL29312097 0.63 CYP3A4 (0.38) CYP3A4MAPTACHEMAOATSHR
SCHEMBL15268095 0.63 CYP3A4 (0.38) CYP3A4MAPTACHEMAOATSHR
SCHEMBL3159301 0.62 ACHE (0.56) CYP3A4MAPTACHEMAOATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265231-A1 Hydrazide Compounds for Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2007-11-15 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-20070265231-A1 Hydrazide Compounds for Combating Animal Pests HRH4, CBR3, HRH2 CYP3A4 990/4885MAPT 4808/4885ACHE 378/4885

“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.