SCHEMBL3817033

SCHEMBL3817033

CCOc1ccnc(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TTK P33981 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ESR2 Q92731 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL12093512 0.88 LOX (0.52) NQO1TP53CYP3A4ALDH1A1HPGD
SCHEMBL16804956 0.88 CCR1 (0.55) NQO1CYP11B1CYP11B2CCR1CCR5
SCHEMBL16782973 0.82 GABRA5 (0.56) CYP3A4LMNAPPARG
SCHEMBL14664946 0.81 PPARG (0.37) NQO1HPGDKMT2ANPC1MAPT
SCHEMBL31437910 0.81 ACACB (0.36) NQO1HPGDKMT2ANPC1MAPT
SCHEMBL4607848 0.80 CCR1 (0.61) NQO1TP53CYP3A4ALDH1A1HPGD
SCHEMBL8737839 0.80 MEN1 (0.43) NQO1ALDH1A1HPGDKMT2ATDP1
SCHEMBL12093758 0.78 UHRF1 (0.48) NQO1TP53CYP3A4ALDH1A1HPGD
SCHEMBL129096 0.78 UHRF1 (0.48) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL171947 0.78 TP53 (0.48) NQO1TP53CYP3A4ALDH1A1HPGD

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
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 US disclosed
US-4053318-A SENSITIZING MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 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 (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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 NQO1 1435/4885TP53 4683/4885CYP3A4 2505/4885

“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.