SCHEMBL6130008

SCHEMBL6130008

CCCSCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.57
POLB P06746 8/20 0.57
MAPT P10636 7/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 4/20 0.46
RECQL P46063 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 3/20 0.44
TYR P14679 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 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
SCHEMBL423623 0.89 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL3940524 0.83
SCHEMBL140950 0.83 TSHR (0.59) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL6129961 0.82 ALDH1A1 (0.44) ALDH1A1POLBMAPTTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL10914529 0.82 ALDH1A1 (0.50) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL4869503 0.82 ALDH1A1 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL705421 0.80 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL10685820 0.80 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL13362134 0.79 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL12580051 0.79 ALDH1A1 (0.65) ALDH1A1POLBMAPTTDP1L3MBTL1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111748413-A Coffee extract for cigarettes and preparation method and application thereof 湖北中烟工业有限责任公司 2020-10-09 CN claimed
US-3993792-A MODIFYING COFFEE FLAVOR; FURANS AND BENZOFURANS WITH SULFUR-CONTAINING SUBSTITUENTS FIRMENICH & CIE (CH) 1976-11-23 US claimed
CN-111748413-A Coffee extract for cigarettes and preparation method and application thereof 湖北中烟工业有限责任公司 2020-10-09 CN disclosed
US-8338464-B2 Small molecule inhibitors of BCL6 ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-12-25 US disclosed
US-20100130564-A1 SMALL MOLECULE INHIBITORS OF BCL6 ALBERT EINSTEIN COLLEGE OF MEDICINE 2010-05-27 US disclosed
EP-1280419-A4 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2005-01-19 EP disclosed
US-6824805-B2 ADMIXING INGESTIBLE VEHICLE (MEAT, DAIRY, AND BEVERAGE PRODUCTS) WITH ORGANOLEPTIC PURIFIED FURFURYL PROPYL DISULFIDE FORMED BY REACTING SODIUM FURFURYLTHIOLATE WITH SODIUM PROPYLTHIOSULFATE BUSH BOAKE ALLEN LTD. 2004-11-30 US disclosed
EP-1280419-A1 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME Bush Boake Allen Inc. (US) 2003-02-05 EP disclosed
US-20020110628-A1 Furfuryl propyl disulfide as a flavoring agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-08-15 US disclosed
WO-2001084959-A1 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-11-15 WO disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3993792-A MODIFYING COFFEE FLAVOR; FURANS AND BENZOFURANS WITH SULFUR-CONTAINING SUBSTITUENTS FIRMENICH & CIE (CH) 1976-11-23 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 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-20100130564-A1 SMALL MOLECULE INHIBITORS OF BCL6 BCL6, BCL6B, BCOR ALDH1A1 3062/4885POLB 2333/4885MAPT 4565/4885

“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.