SCHEMBL17503822

SCHEMBL17503822

C[C@@H](c1ccccc1)n1cc(O)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.51
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 5/20 0.41
CYP2D6 P10635 1/20 0.41
KLKB1 P03952 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17503674 1.00 CREBBP (0.51) CREBBPGAAALDH1A1TDP1BRD4
SCHEMBL16095724 1.00 CREBBP (0.51) CREBBPGAAALDH1A1TDP1BRD4
SCHEMBL23022195 0.83 CREBBP (0.55) CREBBPGAAKDM4ELMNA
SCHEMBL29507153 0.83 CREBBP (0.55) CREBBPGAAKDM4ELMNA
SCHEMBL17680597 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19538823 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19531660 0.80 CREBBP (0.52) CREBBPALDH1A1TDP1BRD4CYP2D6
SCHEMBL19531635 0.80 CREBBP (0.52) CREBBPALDH1A1TDP1BRD4CYP2D6
SCHEMBL19538830 0.80 CREBBP (0.52) CREBBPBRD4CYP2D6KLKB1KDM4E
SCHEMBL19531666 0.80 CREBBP (0.52) CREBBPALDH1A1TDP1BRD4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 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 (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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C CREBBP 375/4885GAA 1975/4885ALDH1A1 392/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C CREBBP 375/4885GAA 1975/4885ALDH1A1 392/4885

“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.