SCHEMBL17448530

SCHEMBL17448530

COc1cc(/C=C/C(=O)C2(C)CC3CCCC(C3)C2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 2/20 0.50
HTR1A P08908 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
HTR2C P28335 1/20 0.50
MEN1 O00255 1/20 0.50
ABCB1 P08183 1/20 0.44
STAT6 P42226 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KRAS P01116 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PSMB11 A5LHX3 1/20 0.43
PSMA7 O14818 1/20 0.43
PSMB1 P20618 1/20 0.43

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
SCHEMBL8267947 0.82 KMT2A (0.49) ALDH1A1KDM4EHPGDKMT2AHTR1A
SCHEMBL5509239 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2AHTR1A
SCHEMBL16052805 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2AHTR1A
SCHEMBL8637983 0.73 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHTR1AHSD17B10
SCHEMBL8637989 0.73 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHTR1AHSD17B10
SCHEMBL2743907 0.70 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHTR1AHSD17B10
SCHEMBL2743909 0.70 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHTR1AHSD17B10
SCHEMBL17448620 0.69 HDAC3 (0.42) ALDH1A1HPGDKMT2AHTTMEN1
SCHEMBL17447204 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDKMT2AHTR1A
SCHEMBL6106506 0.68 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHTR1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B ALDH1A1 4341/4885KDM4E 361/4885HPGD 1231/4885

“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.