SCHEMBL6907956

SCHEMBL6907956

O=C(O[C@]12CCCCC1O2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.38
F2 P00734 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STAT3 P40763 1/20 0.36
CHRNA7 P36544 1/20 0.36
TSHR P16473 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
SCHEMBL6905915 1.00 KMT2A (0.40) KMT2AMEN1ATMGAAPOLB
SCHEMBL6903507 1.00 KMT2A (0.40) KMT2AMEN1ATMGAAPOLB
SCHEMBL7597793 0.99 POLB (0.41) KMT2AMEN1ATMGAAPOLB
SCHEMBL7639019 0.99 POLB (0.41) KMT2AMEN1ATMGAAPOLB
SCHEMBL7596827 0.95 LMNA (0.39) KMT2AMEN1ATMGAAPOLB
SCHEMBL7588385 0.87 ALDH1A1 (0.40) KMT2AGAANPSR1LMNACYP2D6
SCHEMBL7610955 0.86 ALDH1A1 (0.41) KMT2AGAAPOLBCYP1A2SCN1A
SCHEMBL7597565 0.84 SMN1; SMN2 (0.45) KMT2APOLBNPSR1LMNAALDH1A1
SCHEMBL7630204 0.81 PTPN2 (0.44) KMT2AMEN1POLBALDH1A1
SCHEMBL7597063 0.80 MEN1 (0.38) KMT2AMEN1POLBNPSR1LMNA

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 KMT2A 2893/4885MEN1 4654/4885ATM 4627/4885

“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.