SCHEMBL6907958

SCHEMBL6907958

O=C(O[C@@H]1CCCCC1=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 3/20 0.68
POLB P06746 3/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
MCL1 Q07820 1/20 0.57
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.47
CHRNA7 P36544 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL4703081 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL6909436 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7590574 0.98 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7599667 0.98 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7591780 0.95 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7590968 0.84 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7603474 0.84 PKM (0.62) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7598046 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL30285247 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBUSP2LMNA
SCHEMBL7633022 0.80 MEN1 (0.60) ALDH1A1KDM4EPOLBUSP2LMNA

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
US-6686483-B2 REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-03 US disclosed
US-20020133031-A1 Catalytic asymmetric epoxidation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-09-19 US disclosed
US-6384265-B1 ACID CATALYSIS FOR REARRANGEMENT/INVERSION OF STEREOCONFIGURATION; KINETIC RESOLUTION OF RACEMIC MIXTURES USING A CHIRAL CATALYST COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-05-07 US disclosed
EP-1169291-A1 METHODS FOR PRODUCING $g(a)-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-01-09 EP disclosed
WO-2000056696-A1 METHODS FOR PRODUCING α-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-09-28 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-20020133031-A1 Catalytic asymmetric epoxidation CBR1, AOX1, CBR3 ALDH1A1 133/4885KDM4E 1339/4885POLB 1064/4885

“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.