SCHEMBL3047260

SCHEMBL3047260

CC(C)(O)c1ccc(O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 5/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
ESRRG P62508 1/20 0.40
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
KLF10 Q13118 1/20 0.38
SHBG P04278 1/20 0.38
ESR2 Q92731 4/20 0.37
MGLL Q99685 1/20 0.37
AR P10275 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
SCHEMBL30249992 0.84 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL179468 0.84 ALDH1A1 (0.64) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL544510 0.84 ESR1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29372911 0.84 ESR1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4470436 0.84 ESR1 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL15729280 0.83 CA3 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4462227 0.83 ESR1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL6967423 0.82 KCNN4 (0.43) MEN1KMT2APDE2A
SCHEMBL15146360 0.78 HDAC1 (0.40) ESR1MEN1KMT2APDE2A
SCHEMBL17456366 0.78 ESR1 (0.77) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR ALDH1A1 61/4885ALOX15 4163/4885HSD17B10 3159/4885

“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.