SCHEMBL906614

SCHEMBL906614

COC(=O)CC1(C(C)C)CCCC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.33
KARS1 Q15046 1/20 0.31
P2RX7 Q99572 2/20 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
SCHEMBL28350743 0.86 CYP1A2 (0.47) CYP1A2KDM4E
SCHEMBL20772142 0.85 KDM4E (0.44) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL7976411 0.78 CYP1A2 (0.46) CYP1A2KDM4EALDH1A1TDP1
SCHEMBL10086067 0.76 TSHR (0.39)
SCHEMBL28748031 0.75 CYP1A2 (0.37) CYP1A2KDM4E
SCHEMBL31284806 0.75 CYP1A2 (0.50) CYP1A2KDM4EALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL31284551 0.74 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1TDP1POLB
SCHEMBL7450992 0.74 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1TDP1POLB
SCHEMBL114682 0.74 CYP1A2 (0.49) CYP1A2
SCHEMBL5435198 0.74 CYP1A2 (0.49) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
EP-4149280-A1 ROBUST FLAVOR EMULSIONS International Flavors & Fragrances Inc. (US) 2023-03-22 EP disclosed
WO-2021231886-A1 ROBUST FLAVOR EMULSIONS INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2021-11-18 WO disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 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-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 CYP1A2 766/4885KDM4E 3726/4885ALDH1A1 555/4885

“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.