SCHEMBL6861565

SCHEMBL6861565

CCCCCCC1NCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HLCS P50747 2/20 0.37
GBA1 P04062 3/20 0.35
SPHK1 Q9NYA1 2/20 0.34
GUSB P08236 1/20 0.34
PRKCA P17252 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL3652550 1.00 CYP1A2 (0.42) CYP1A2ALDH1A1L3MBTL1HLCSGBA1
SCHEMBL11631624 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11749340 0.77 PPARG (0.43) L3MBTL1ALOX5
SCHEMBL4032175 0.77 CDK1 (0.35)
SCHEMBL559663 0.74 SMN1; SMN2 (0.40) CYP1A2L3MBTL1
SCHEMBL28510062 0.73 ALOX5 (0.36) CYP1A2ALDH1A1L3MBTL1HLCSGBA1
SCHEMBL17351114 0.73 ALOX5 (0.36) CYP1A2ALDH1A1L3MBTL1HLCSGBA1
SCHEMBL2166883 0.72
SCHEMBL8662458 0.72
SCHEMBL11633153 0.72 MLNR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221406-B1 BLACK TRISAZO DYES, THEIR PREPARATION AND USE LANXESS DEUTSCHLAND GMBH (DE) 2022-01-05 EP claimed
US-20170335110-A1 Black Trisazo Dyes, Their Preparation And Their Use LANXESS DEUTSCHLAND GMBH (DE) 2017-11-23 US claimed
EP-3221406-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GmbH (CH) 2017-09-27 EP claimed
WO-2016078988-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE DFI CHEM GMBH (CH) 2016-05-26 WO claimed
EP-3020770-A1 Black trisazo dyes, their preparation and their use DFI Chem GmbH (CH) 2016-05-18 EP claimed
US-6673963-B2 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-01-06 US claimed
US-20030060658-A1 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-03-27 US claimed
EP-1295860-A2 Process for the preparation of sorbic acid by thermal decomposition Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-03-26 EP claimed
US-20230118462-A1 Process for Making Sorbic Acid from Renewable Materials NUTRINOVA NETHERLANDS B.V. (NL) 2023-04-20 US disclosed
US-6794540-B2 Process for the preparation of sorbic acid NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-09-21 US disclosed
US-6673963-B2 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-01-06 US disclosed
US-20030130541-A1 Process for the preparation of sorbic acid NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-07-10 US disclosed
EP-1325902-A1 Process for the preparation of sorbic acid Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-07-09 EP disclosed
US-20030060658-A1 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-03-27 US disclosed
EP-1295860-A2 Process for the preparation of sorbic acid by thermal decomposition Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-03-26 EP 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-20230118462-A1 Process for Making Sorbic Acid from Renewable Materials BCKDK, ALKBH3, MCCC2 CYP1A2 575/4885ALDH1A1 48/4885L3MBTL1 2202/4885

“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.