SCHEMBL4425563

SCHEMBL4425563

CCC(CC)C(=O)N(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL9001866 0.87 MAPK1 (0.49) TSHRALDH1A1KMT2AMEN1CHRNB2
SCHEMBL1491198 0.83 CHRNB2 (0.46) TSHRALDH1A1GLAKMT2ACHRNB2
SCHEMBL10258233 0.81 MAPT (0.39) ALDH1A1KMT2AMEN1L3MBTL1TDP1
SCHEMBL1183668 0.81 HSD17B1 (0.49) TSHRALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL29383540 0.81 HSD17B1 (0.49) TSHRALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL20264485 0.79 HTT (0.46) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL8407136 0.79 IDE (0.44) ALDH1A1KMT2AMEN1CHRNB2CHRNB4
SCHEMBL1139982 0.78 MLYCD (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29940268 0.77 HSD17B2 (0.53)
SCHEMBL27976614 0.77 SIGMAR1 (0.42) TSHRL3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399413-B1 FRAGRANCE COMPOUNDS QUEST INT (NL) 2009-09-16 EP disclosed
US-7169748-B2 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-01-30 US disclosed
US-20040157765-A1 Fragrance compounds QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-08-12 US disclosed
EP-0819161-B1 FRAGRANCE MATERIAL QUEST INTERNAT (NL) 2001-07-11 EP disclosed
US-5856295-A N-ETHYL-N-(3-METHYLPHENYL)PROPIONAMIDE QUEST INTERNATIONAL B.V. (NL) 1999-01-05 US disclosed
EP-0819161-A1 FRAGRANCE MATERIAL QUEST INTERNATIONAL (NL) 1998-01-21 EP disclosed
WO-1996030470-A1 FRAGRANCE MATERIAL QUEST INTERNATIONAL (NL) 1996-10-03 WO disclosed
US-4419282-A N,N-Dimethyloctanamide fragrances RHONE-POULENC INDUSTRIES (FR) 1983-12-06 US disclosed
US-4419281-A N,N-Diethylheptanamide fragrances RHONE-POULENC INDUSTRIES (FR) 1983-12-06 US disclosed
US-4357949-A SMOKING AND CHEWING TOBACCO; FOODS; DETERGENTS; FABRICS; COSMETICS; DENTIFRICES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-11-09 US disclosed
US-4331550-A Carboamidoalkyl norbornanes and organoleptic use in detergents INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-25 US disclosed
US-4331570-A Carboamidoalkyl norbornanes and organoleptic use in perfumes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-25 US disclosed
US-4329373-A Use of carboamidoalkyl norbornanes for augmenting or enhancing the aroma or taste of a foodstuff INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-11 US disclosed
US-4324912-A FROM METHYLCYCLOPENTADIENE, N,N-DIMETHYLACRYLAMIDE, ALKYLALUMINUM CHLORIDE CATALYST INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-04-13 US disclosed
US-4301021-A PERFUMES RHONE-POULENC INDUSTRIES (FR) 1981-11-17 US disclosed
US-3909462-A Novel odorant and/or flavorant GIVAUDAN CORPORATION 1975-09-30 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-20040157765-A1 Fragrance compounds HRH4, HRH1, PNMT TSHR 3402/4885ALDH1A1 2029/4885GLA 3757/4885

“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.