SCHEMBL3682573

SCHEMBL3682573

O=CCCCCC1CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.33
EPHX2 P34913 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL13346690 0.98 KDM4E (0.36) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL13346691 0.98 KDM4E (0.36) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL13346688 0.98 KDM4E (0.36) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL13346692 0.98 KDM4E (0.36) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL13346689 0.98 KDM4E (0.36) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL3682572 0.95 KDM4E (0.38) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL3677071 0.87 KDM4E (0.40) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL1975023 0.84 KDM4E (0.46) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL4445579 0.82 KDM4E (0.44) KDM4EALDH1A1TSHREPHX2TDP1
SCHEMBL30996063 0.82 KDM4E (0.44) KDM4EALDH1A1TSHREPHX2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149826-B1 Ester compounds having alicyclic structure, and methods for preparing the same SHINETSU CHEMICAL CO (JP) 2010-11-24 EP disclosed
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-6403823-B2 Ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6403822-B2 NUCLEOPHILIC ADDITION OF ALICYCLIC CARBONYL AND METAL ENOLATE OF ACETATE; POLYCARBON MONOMERS FOR PHOTORESISTS; HIGH REACTIVITY AND SUBSTRATE AFFINITY SHIN-ETSU CHEMICAL, CO., LTD. (JP) 2002-06-11 US disclosed
US-20010051741-A1 Novel ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-13 US disclosed
US-20010051742-A1 Novel ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1149826-A2 Ester compounds having alicyclic structure, and methods for preparing the same Shin-Etsu Chemical Co., Ltd. (JP) 2001-10-31 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 (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-20010051742-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, GAR1 KDM4E 876/4885ALDH1A1 460/4885TSHR 4361/4885
US-20010051741-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, ASIC1 KDM4E 795/4885ALDH1A1 421/4885TSHR 4509/4885

“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.