SCHEMBL21790728

SCHEMBL21790728

CCCC(C)(C)Nc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.48
ESR2 Q92731 5/20 0.48
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 3/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 3/20 0.37

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
SCHEMBL13091135 0.82 GAA (0.45) MEN1KMT2AGAAMAPTHPGD
SCHEMBL10457306 0.80 MAPT (0.34) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL21790575 0.80 MEN1 (0.53) MEN1KMT2AL3MBTL1POLBTDP1
SCHEMBL23084860 0.80 KDM4E (0.38) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL1453847 0.79 GAA (0.43) KMT2AGAAMAPTHPGDHSD17B10
SCHEMBL9812331 0.78 IDO1 (0.47) ESR1ESR2MEN1KMT2AGAA
SCHEMBL23456093 0.78 NPC1 (0.44) MEN1KMT2AGAAMAPTHPGD
SCHEMBL2186299 0.77 ALDH1A1 (0.48) MEN1KMT2AGAAMAPTHPGD
SCHEMBL21790798 0.77 SMN1; SMN2 (0.49) MEN1KMT2AHSD17B10ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9023209 0.76 IDO1 (0.45) ESR1ESR2MEN1KMT2AGAA

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 ESR1 460/4885ESR2 874/4885MEN1 3035/4885

“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.