SCHEMBL4451113

SCHEMBL4451113

C[CH]CCCC(C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.61
ALDH1A1 P00352 1/20 0.61
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.41
NFE2L2 Q16236 1/20 0.39
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38
GLA P06280 1/20 0.38
PTPN1 P18031 1/20 0.35

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
SCHEMBL3147442 0.94 ALOX15 (0.68) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL712668 0.82 ALOX15 (0.59) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL8062155 0.81 ALOX15 (0.76) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL19681520 0.81 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL1200446 0.81 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL10616732 0.81 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL8062162 0.81 ALOX15 (0.76) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL5505780 0.81 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL1200445 0.81 ALOX15 (0.63) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL8062160 0.81 ALOX15 (0.76) ALOX15ALDH1A1USP2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US disclosed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 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 (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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 ALOX15 513/4885ALDH1A1 13/4885USP2 3716/4885

“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.