SCHEMBL3211973

SCHEMBL3211973

C#C[CH]C(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
TAAR1 Q96RJ0 3/20 0.40
MIF P14174 2/20 0.39
CYP2D6 P10635 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
GNAI1 P63096 1/20 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
SCHEMBL496436 0.75 TRPA1 (0.47) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL9325711 0.74 TRPA1 (0.50) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL185170 0.72 TRPA1 (0.50) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL22206809 0.72 TRPA1 (0.48) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL21331657 0.72 TRPA1 (0.50) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL9719434 0.70 TRPA1 (0.47) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL10012903 0.70 TRPA1 (0.47) TRPA1TAAR1MIFCYP2D6ADRA2C
SCHEMBL7808281 0.70 TRPA1 (0.47) TRPA1TAAR1CYP2D6ADRA2CTSHR
SCHEMBL1462504 0.70 TRPA1 (0.47) TRPA1TAAR1ADRA2CHTR2AADRA2A
SCHEMBL1462503 0.70 TRPA1 (0.47) TRPA1TAAR1ADRA2CHTR2AADRA2A

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-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 TRPA1 567/4885TAAR1 52/4885MIF 4320/4885

“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.