SCHEMBL5622944

SCHEMBL5622944

O=Cc1c(Cl)cccc1OCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4542724 0.82 ALDH1A1 (0.55) KMT2AMEN1TDP1ALDH1A1TSHR
SCHEMBL2554998 0.81 KMT2A (0.57) KMT2AMEN1TDP1ALDH1A1CYP2C19
SCHEMBL31562446 0.81 KMT2A (0.57) KMT2AMEN1TDP1ALDH1A1CYP2C19
SCHEMBL29954117 0.80 KMT2A (0.48) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL2291002 0.80 ALDH1A1 (0.49) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL20541205 0.79 ALDH1A1 (0.52) KMT2AMEN1TDP1ALDH1A1CYP1A2
SCHEMBL29084863 0.79 ALDH1A1 (0.52) KMT2AMEN1TDP1ALDH1A1CYP3A4
SCHEMBL15329848 0.79 KMT2A (0.47) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL19816980 0.78 ALDH1A1 (0.50) KMT2AMEN1TDP1ALDH1A1CYP1A2
SCHEMBL4611512 0.78 NPC1 (0.57) KMT2AMEN1TDP1ALDH1A1TP53

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
US-7226945-B2 Estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-06-05 US disclosed
US-20050043350-A9 Estrogen Receptor-beta ligands ASTRAZENECA AB (SE) 2005-02-24 US disclosed
US-20040039015-A1 Estrogen Receptor-beta ligands BARLAAM BERNARD (FR) 2004-02-26 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-20050043350-A9 Estrogen Receptor-beta ligands ESR2, GPER1, ESR1 KMT2A 604/4885MEN1 3611/4885TDP1 4753/4885
US-20040039015-A1 Estrogen Receptor-beta ligands ESR2, GPER1, ESRRG KMT2A 2460/4885MEN1 3185/4885TDP1 4588/4885

“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.