SCHEMBL22109121

SCHEMBL22109121

O=C(CCc1ccc2c(c1)OCO2)N(CC1CCCO1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.55
▸ TSHR P16473 5/20 0.51
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL22109467 0.84 ALDH1A1 (0.56) TRPM8ALDH1A1TSHRKDM4EHPGD
SCHEMBL22074382 0.81 TRPM8 (0.63) TRPM8ALDH1A1TSHRHPGDHSD17B10
SCHEMBL22100704 0.78 TRPM8 (0.70) TRPM8ALDH1A1TSHRHPGDRAB9A
SCHEMBL29779984 0.77 HPGD (0.66) TRPM8ALDH1A1KDM4EHPGDRAB9A
SCHEMBL20773077 0.77 HPGD (0.66) TRPM8ALDH1A1KDM4EHPGDRAB9A
SCHEMBL11695822 0.77 TRPM8 (1.00) TRPM8ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL20777277 0.73 RAB9A (0.55) TRPM8ALDH1A1KDM4EHPGDRAB9A
SCHEMBL10745005 0.72 ALDH1A1 (0.55) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9788827 0.69 TRPM8 (0.62) TRPM8ALDH1A1TSHRHPGDCYP1A2
SCHEMBL9425769 0.69 TRPM8 (0.67) TRPM8ALDH1A1CYP1A2CYP3A4RAB9A

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-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 — — 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-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885ALDH1A1 1810/4885TSHR 1357/4885

“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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