SCHEMBL22074401

SCHEMBL22074401

Cc1cccc(OCC(=O)N(CC2CCCO2)c2cc[nH]n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ TP53 P04637 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29779994 1.00 POLB (0.50) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL20773155 0.89 POLB (0.48) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL22074342 0.88 POLB (0.49) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL29780009 0.88 POLB (0.49) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL20772747 0.86 SMN1; SMN2 (0.49) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL20773830 0.85 KMT2A (0.48) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL20777355 0.85 POLB (0.52) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL20773041 0.83 GAA (0.48) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL22074383 0.83 TRPM8 (0.50) POLBTP53HPGDALDH1A1NPSR1
SCHEMBL22074365 0.82 POLB (0.60) POLBTP53HPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 — — US disclosed
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 POLB 4708/4885TP53 4188/4885HPGD 1710/4885

“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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