SCHEMBL1633705

SCHEMBL1633705

C=C(C)COCCCCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 3/20 0.45
USP2 O75604 1/20 0.41
CES1 P23141 1/20 0.39
PLA2G2C Q5R387 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL16107083 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL1633949 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL1635179 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL1636629 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL14939700 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL25424773 0.98 CES2 (0.63) CES2HTTMEN1THRBKMT2A
SCHEMBL28736760 0.96 CES2 (0.61) CES2HTTMEN1THRBKMT2A
SCHEMBL6408574 0.93
SCHEMBL871697 0.90 CES2 (0.44) CES2HTTMEN1THRBKMT2A
SCHEMBL5989968 0.88 TSHR (0.50) CES2HTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 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 (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-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same ALDH1A1, ALDH5A1, ALDH3A1 CES2 367/4885HTT 4331/4885MEN1 4142/4885

“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.