SCHEMBL2220979

SCHEMBL2220979

CC(=O)CCC1=CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALOX15 P16050 1/20 0.49
HPGD P15428 3/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EPHX1 P07099 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9812097 0.94 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL988376 0.84 TAAR1 (0.53) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL27893993 0.84 HPGD (0.49) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL6565475 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL11615931 0.82 TAAR1 (0.51) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL3944420 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL13374714 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL31572661 0.80 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1
SCHEMBL16649242 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALOX15HPGDHTT
SCHEMBL722436 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ALOX15HPGDTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10561168-B2 Tobacco-derived components and materials R.J. REYNOLDS TOBACCO COMPANY (US) 2020-02-18 US claimed
US-20180027867-A1 TOBACCO-DERIVED COMPONENTS AND MATERIALS REYNOLDS TOBACCO CO R (US) 2018-02-01 US claimed
EP-2523568-B1 TOBACCO-DERIVED COMPONENTS AND MATERIALS REYNOLDS TOBACCO CO R (US) 2013-12-18 EP claimed
US-20130014771-A1 TOBACCO-DERIVED COMPONENTS AND MATERIALS R. J. REYNOLDS TOBACCO COMPANY 2013-01-17 US claimed
CN-102802451-A Tobacco-derived components and materials REYNOLDS TOBACCO CO R 2012-11-28 CN claimed
EP-2523568-A2 TOBACCO-DERIVED COMPONENTS AND MATERIALS R. J. Reynolds Tobacco Company (US) 2012-11-21 EP claimed
WO-2011088171-A2 TOBACCO-DERIVED COMPONENTS AND MATERIALS R. J. REYNOLDS TOBACCO COMPANY (US) 2011-07-21 WO claimed
WO-1990003113-A1 ATTRACTANCE FOR DACUS LATIFRONS, THE MALAYSIAN FRUIT FLY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1990-04-05 WO claimed
US-4877607-A CYCLOHEXYL AND CYCLOHEXENYL ALIPHATIC ALCOHOLS AND KETONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-10-31 US claimed
EP-3094193-B1 PROCESS FOR PRODUCING FLAVORANTS AND RELATED MATERIALS REYNOLDS TOBACCO CO R (US) 2025-09-03 EP disclosed
CN-106255424-B Process for producing fragrances and related materials R.J.雷诺兹烟草公司 2021-10-08 CN disclosed
US-20210309789-A1 METHODS FOR REDUCING ALDEHYDE EMISSIONS IN POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC 2021-10-07 US disclosed
US-10561168-B2 Tobacco-derived components and materials R.J. REYNOLDS TOBACCO COMPANY (US) 2020-02-18 US disclosed
US-10188137-B2 Process for producing flavorants and related materials R.J. REYNOLDS TOBACCO COMPANY (US) 2019-01-29 US disclosed
US-7112699-B2 Process for the direct conversion of lactones into unsaturated ketones or aldehydes FIRMENICH SA (CH) 2006-09-26 US disclosed
US-20060036116-A1 Process for the direct conversion of lactones into unsaturated ketones or aldehydes FIRMENICH SA (CH) 2006-02-16 US disclosed
EP-1615868-A1 PROCESS FOR THE DIRECT CONVERSION OF LACTONES INTO UNSATURATED KETONES OR ALDEHYDES FIRMENICH SA (CH) 2006-01-18 EP disclosed
WO-2004089861-A1 PROCESS FOR THE DIRECT CONVERSION OF LACTONES INTO UNSATURATED KETONES OR ALDEHYDES FIRMENICH SA (CH) 2004-10-21 WO disclosed
WO-1990003113-A1 ATTRACTANCE FOR DACUS LATIFRONS, THE MALAYSIAN FRUIT FLY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1990-04-05 WO disclosed
US-4877607-A CYCLOHEXYL AND CYCLOHEXENYL ALIPHATIC ALCOHOLS AND KETONES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-10-31 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-20060036116-A1 Process for the direct conversion of lactones into unsaturated ketones or aldehydes TECR, PC, SOD1 ALDH1A1 771/4885SMN1; SMN2 3801/4885ALOX15 9/4885

“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.