SCHEMBL3780190

SCHEMBL3780190

CC(C)CC(C)C(Cl)C[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.47
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL3789231 0.74 CPA1 (0.52) CPA1ALDH1A1TSHR
SCHEMBL18463625 0.72 CPA1 (0.54) CPA1TSHR
SCHEMBL4212444 0.71
SCHEMBL3278706 0.70 CPA1 (0.44) CPA1ALDH1A1TSHR
SCHEMBL1170344 0.70
SCHEMBL13567336 0.68 CPA1 (0.55) CPA1TSHR
SCHEMBL1116709 0.68 CPA1 (0.55) CPA1ALDH1A1TSHR
SCHEMBL16884566 0.67 CPA1 (0.69) CPA1
SCHEMBL13007945 0.67 CPA1 (0.48) CPA1ALDH1A1TSHR
SCHEMBL13007954 0.67 CPA1 (0.48) CPA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395573-B Process for producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2014-05-07 CN disclosed
CN-103467443-A Process for production of 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2013-12-25 CN disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
CN-102395573-A Process for producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2012-03-28 CN disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 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-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE CBR3, CYP2E1, SULT2A1 CPA1 3923/4885ALDH1A1 201/4885TSHR 3031/4885

“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.