SCHEMBL1783445

SCHEMBL1783445

CCC(C)CC/C=C(\C)C=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.32
BTN3A1 O00481 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
SCHEMBL1783447 1.00 ALOX15 (0.41) ALOX15ALDH1A1PTPN1TSHRUSP2
SCHEMBL1784180 0.88 PTPN1 (0.36) ALOX15ALDH1A1PTPN1TSHR
SCHEMBL1784181 0.88 PTPN1 (0.36) ALOX15ALDH1A1PTPN1TSHR
SCHEMBL1784119 0.86 ALOX15 (0.44) ALOX15ALDH1A1PTPN1TSHRUSP2
SCHEMBL12654601 0.86 ALOX15 (0.44) ALOX15ALDH1A1PTPN1TSHRUSP2
SCHEMBL1784117 0.86 ALOX15 (0.44) ALOX15ALDH1A1PTPN1TSHRUSP2
SCHEMBL9613594 0.83 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2
SCHEMBL9609504 0.83 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2
SCHEMBL11615971 0.83 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2
SCHEMBL11744229 0.83 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4283433-A FOR FOODSTUFFS, ANIMAL FEEDS, BEVERAGES FIRMENICH SA (CH) 1981-08-11 US claimed
CN-116425606-A Process for preparing 3, 7-dimethyl alkane compound 信越化学工业株式会社 2023-07-14 CN disclosed
US-11685703-B2 Process for preparing a 3,7-dimethylalkane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-27 US disclosed
EP-4186883-A1 A PROCESS FOR PREPARING A 3,7-DIMETHYLALKANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-31 EP disclosed
US-20230159412-A1 PROCESS FOR PREPARING A 3,7-DIMETHYLALKANE COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 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-4381410-A α,β-Unsaturated aldehydes and their use as flavor-modifying ingredients FIRMENICH SA (CH) 1983-04-26 US disclosed
US-4381410-A α,β-Unsaturated aldehydes and their use as flavor-modifying ingredients FIRMENICH SA (CH) 1983-04-26 US disclosed
US-4283433-A FOR FOODSTUFFS, ANIMAL FEEDS, BEVERAGES FIRMENICH SA (CH) 1981-08-11 US disclosed
US-4283433-A FOR FOODSTUFFS, ANIMAL FEEDS, BEVERAGES FIRMENICH SA (CH) 1981-08-11 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 (3 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALOX15 1416/4885ALDH1A1 520/4885PTPN1 4528/4885
US-11685703-B2 Process for preparing a 3,7-dimethylalkane compound CUL1, CUL3, CUL5 ALOX15 1208/4885ALDH1A1 1272/4885PTPN1 2376/4885
US-20230159412-A1 PROCESS FOR PREPARING A 3,7-DIMETHYLALKANE COMPOUND CUL1, CUL3, CUL5 ALOX15 1208/4885ALDH1A1 1272/4885PTPN1 2376/4885

“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.