SCHEMBL1784052

SCHEMBL1784052

CC(C)CC(C)CCC=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL1784324 0.87 HIF1A (0.48) HIF1AALDH1A1ADH1BADH1CADH1A
SCHEMBL1782964 0.85 HIF1A (0.46) HIF1AALDH1A1ADH1BADH1CADH1A
SCHEMBL17381336 0.85 ALDH1A1 (0.42) HIF1AALDH1A1ADH1BADH1CADH1A
SCHEMBL20362635 0.84 HIF1A (0.43) HIF1AADH1BADH1CADH1ATSHR
SCHEMBL1783631 0.82 ALDH1A1 (0.43) HIF1AALDH1A1TSHRTDP1MAPK1
SCHEMBL1786594 0.82 ALDH1A1 (0.38) HIF1AALDH1A1TSHRTDP1MAPK1
SCHEMBL1784683 0.81 LMNA (0.38) HIF1AALDH1A1ADH1BADH1CADH1A
SCHEMBL28486747 0.81 ALDH1A1 (0.35) HIF1AALDH1A1ADH1BADH1CADH1A
SCHEMBL27951894 0.80 ALDH1A1 (0.36) HIF1AALDH1A1TSHR
SCHEMBL107778 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010788-B Novel aldehyde compounds and their use in perfuming compositions 国际香料和香精公司 2021-04-23 CN disclosed
US-10150722-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-12-11 US disclosed
EP-3072876-B1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2018-10-10 EP disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
CN-106010788-A Novel aldehyde compounds and their use in perfume compositions 国际香料和香精公司 2016-10-12 CN disclosed
CN-101583587-A Process for preparing polyalcohols from formaldehyde with a low formic acid content BASF SE (DE) 2009-11-18 CN disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7462747-B2 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal BASF AKTIENGESELLSCHAFT (DE) 2008-12-09 US disclosed
US-20080167506-A1 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 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 (4 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-20080167506-A1 of by-products can advantageously be prevented in a targeted manner and the yield of the desired polymethylol compound can thereby be increased; condensing an aldehyde with formaldehyde in an aldol reaction to form an alkanal, hydrogenating the alkanal ASH2L, AKR7A2, HACL2 HIF1A 1662/4885ALDH1A1 104/4885ADH1B 324/4885
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS ALDH1A1, TRPA1, ALDH2 HIF1A 800/4885ALDH1A1 1/4885ADH1B 56/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HIF1A 3381/4885ALDH1A1 4132/4885ADH1B 2521/4885
US-10150722-B2 Aldehyde compounds and their use in perfume compositions ALDH1A1, ALDH2, ADH5 HIF1A 651/4885ALDH1A1 1/4885ADH1B 69/4885

“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.