SCHEMBL672636

SCHEMBL672636

C1CCCC2CCC2CCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
HSD17B10 Q99714 1/20 0.38
SLC18A3 Q16572 1/20 0.38
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL136384 1.00
SCHEMBL16878797 1.00 ALDH1A1 (0.80) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL434235 1.00
SCHEMBL9141553 1.00 ALDH1A1 (0.80) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL18857303 1.00 ALDH1A1 (0.80) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL7741464 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL22284064 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL11359726 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL22284066 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBCES2
SCHEMBL21841873 0.95 ALDH1A1 (0.89) ALDH1A1HSD17B10SLC18A3THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298246-B Vicinal diol ether derivatives of polyether polymers P2科学公司 2025-05-27 CN disclosed
EP-4214269-A1 SURFACE-COATING FLUID COMPOSITION FOR ABSORBING AND DIFFUSING VOLATILE COMPOUNDS Ceva Santé Animale (FR) 2023-07-26 EP disclosed
CN-110944605-B Warming appliance 花王株式会社 2023-04-18 CN disclosed
CN-110944605-B Warming appliance 花王株式会社 2023-04-18 CN disclosed
WO-2022058690-A1 SURFACE-COATING FLUID COMPOSITION FOR ABSORBING AND DIFFUSING VOLATILE COMPOUNDS CEVA SANTE ANIMALE (FR) 2022-03-24 WO disclosed
US-8183395-B2 Compositions and methods for treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-05-22 US disclosed
US-8057829-B2 Methods for repelling insects using sesquiterpene hydrocarbons and their derivatives STERLING INTERNATIONAL INC. (US) 2011-11-15 US disclosed
US-20100166896-A1 METHODS FOR REPELLING INSECTS USING SESQUITERPENE HYDROCARBONS AND THEIR DERIVATIVES STERLING INTERNATIONAL INC. (US) 2010-07-01 US disclosed
US-20100113585-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY (US) 2010-05-06 US disclosed
WO-2008109717-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-09-12 WO 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-20100166896-A1 METHODS FOR REPELLING INSECTS USING SESQUITERPENE HYDROCARBONS AND THEIR DERIVATIVES CYP51A1, LSS, DAGLA ALDH1A1 2044/4885HSD17B10 205/4885SLC18A3 1945/4885
US-20100113585-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASP3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCAR2 ALDH1A1 882/4885HSD17B10 1156/4885SLC18A3 4465/4885

“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.