SCHEMBL1782346

SCHEMBL1782346

CCCCC(C)CC(C)CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
CTSK P43235 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
SLC15A1 P46059 1/20 0.32
FAAH O00519 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6861852 0.94 ADH1B (0.42) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL26977261 0.92 ADH1B (0.46) TSHRADH1BADH1CADH1AADH4
SCHEMBL8075245 0.89
SCHEMBL8064691 0.89
SCHEMBL231093 0.89
SCHEMBL21933112 0.88 LMNA (0.34) TSHRACE2
SCHEMBL21933113 0.88 LMNA (0.34) TSHRACE2
SCHEMBL31132248 0.88 LMNA (0.34) TSHRACE2
SCHEMBL1783884 0.86 TSHR (0.39) TSHRALDH1A1MAPK1
SCHEMBL11766136 0.84 TSHR (0.41) TSHRSMN1; SMN2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803309-B Odorous compounds and process for their preparation 丝趣科尔卡有限公司 2024-10-11 CN claimed
US-20240262776-A1 Odorous Compounds and Method of Preparation Thereof S.H. Kelkar and Company Limited (IN) 2024-08-08 US claimed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US claimed
US-12516012-B2 Odorous compounds and method of preparation thereof S.H. Kelkar and Company Limited (IN) 2026-01-06 US disclosed
CN-115803309-B Odorous compounds and process for their preparation 丝趣科尔卡有限公司 2024-10-11 CN disclosed
US-20240262776-A1 Odorous Compounds and Method of Preparation Thereof S.H. Kelkar and Company Limited (IN) 2024-08-08 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 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 (2 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-20240262776-A1 Odorous Compounds and Method of Preparation Thereof OR10J3, OR51E2, DECR1 TSHR 3830/4885SMN1; SMN2 4486/4885ADH1B 882/4885
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TSHR 2479/4885SMN1; SMN2 2144/4885ADH1B 1912/4885

“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.