SCHEMBL21996579

SCHEMBL21996579

CCC(C)Nc1cc(Cl)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
HCAR3 P49019 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLP1R P43220 2/20 0.39
GAA P10253 1/20 0.34
MAPK14 Q16539 2/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 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
SCHEMBL17344039 1.00 ESR1 (0.44) ESR1HCAR3ALDH1A1TDP1TP53
SCHEMBL15907429 1.00 ESR1 (0.44) ESR1HCAR3ALDH1A1TDP1TP53
SCHEMBL15901367 0.84 ESR1 (0.43) ESR1TDP1GAA
SCHEMBL15901364 0.84 ESR1 (0.43) ESR1TDP1GAA
SCHEMBL15903708 0.84 ESR1 (0.43) ESR1TDP1GAA
SCHEMBL9925946 0.83 ESR1 (0.42) ESR1HCAR3ALDH1A1TDP1TP53
SCHEMBL11757729 0.83 HRH4 (0.49) HCAR3ALDH1A1TDP1TP53HSP90AA1
SCHEMBL12692695 0.83 ESR1 (0.42) ESR1HCAR3ALDH1A1TDP1TP53
SCHEMBL252101 0.83 ESR1 (0.42) ESR1HCAR3ALDH1A1TDP1TP53
SCHEMBL19225352 0.81 CDC7 (0.49) ESR1HCAR3ALDH1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS CELULARITY INC. (US) 2022-08-11 US disclosed
EP-3887364-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity Inc. (US) 2021-10-06 EP disclosed
CN-113454076-A Aromatic compounds for activating hematopoietic stem and progenitor cells 细胞结构公司 2021-09-28 CN disclosed
WO-2020113178-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity, Inc. (US) 2020-06-04 WO 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-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS ALPP, MCL1, NFATC1 ESR1 605/4885HCAR3 658/4885ALDH1A1 53/4885

“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.