SCHEMBL21029965

SCHEMBL21029965

CC(C)C(O)C(O)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 0.45
PKM P14618 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN7 P35236 1/20 0.45
BLM P54132 1/20 0.45
ESR2 Q92731 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.42
AGTR1 P30556 1/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.37
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.34
CYP2C19 P33261 2/20 0.33

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
SCHEMBL10147174 0.86 KMT2A (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11150700 0.86 KMT2A (0.52) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL27728696 0.84 KMT2A (0.50) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272598 0.83 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272327 0.83 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11151822 0.83 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
Dimethylamine SCHEMBL28482440 0.81 KMT2A (0.44) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL14944873 0.78 KDM4E (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL4088167 0.77
SCHEMBL1133548 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 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-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS KMT2A 2405/4885POLB 197/4885PKM 1592/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS KMT2A 2405/4885POLB 197/4885PKM 1592/4885

“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.