SCHEMBL21790484

SCHEMBL21790484

CCCC(C)(C)Nc1cccc(OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
SYK P43405 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLAU P00749 1/20 0.40
TSHR P16473 1/20 0.39
HDAC4 P56524 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
SCHEMBL12403807 0.85 LMNA (0.52) TP53CYP3A4HTTHSD17B10LMNA
SCHEMBL21790448 0.82 SLC22A12 (0.44) HTTLMNASYKALDH1A1HPGD
SCHEMBL21790735 0.80 NQO1 (0.50) LMNAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL23084782 0.77 MAPT (0.48) CYP3A4HTTHSD17B10KMT2AALDH1A1
SCHEMBL11518974 0.76 SYK (0.57) TP53CYP3A4HTTHSD17B10LMNA
SCHEMBL21790803 0.76 EPHX1 (0.42) HTTLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL22600368 0.76 GAA (0.46) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL21790791 0.76 MEN1 (0.42) KMT2AALDH1A1HPGDMEN1TSHR
SCHEMBL21799923 0.76 MAPT (0.43) TP53CYP3A4LMNASMN1; SMN2KMT2A
SCHEMBL21965832 0.76 LMNA (0.52) HTTLMNASMN1; SMN2KMT2AALDH1A1

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 TP53 96/4885CYP3A4 45/4885HTT 3158/4885

“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.