SCHEMBL13490817

SCHEMBL13490817

CCc1cc(OC)cc(OCCCC(=O)NC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 13/20 0.51
▸ CNR2 P34972 11/20 0.51
▸ HDAC3 O15379 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL13490773 0.84 KMT2A (0.45) HSD17B1HSD17B2LMNAHPGDALDH1A1
SCHEMBL13490816 0.84 FFAR1 (0.54) CNR1CNR2FFAR1PPARGPPARD
SCHEMBL13490815 0.80 BRD4 (0.47) CNR1CNR2ALDH1A1SMN1; SMN2FFAR1
SCHEMBL13008060 0.77 MAPT (0.47) LMNAALDH1A1MAPTPPARGPPARA
SCHEMBL13490806 0.77 MTNR1B (0.59) CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL13490811 0.75 MTNR1B (0.65) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8325496 0.75 CNR1 (0.52) CNR1CNR2LMNAHPGDALDH1A1
SCHEMBL13490807 0.75 CNR1 (0.44) CNR1CNR2ALDH1A1
SCHEMBL88961 0.75 ALDH1A1 (0.48) CNR1CNR2ALDH1A1
SCHEMBL88959 0.75 ALDH1A1 (0.44) CNR1CNR2LMNAHPGDALDH1A1

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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 — — 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE CNR1 2437/4885CNR2 2478/4885HDAC3 1775/4885

“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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