SCHEMBL22020409

SCHEMBL22020409

CP(C)(=O)c1ccc(-c2ccc3cc(-c4ccc(P(C)(C)=O)cc4)ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
HPGD P15428 1/20 0.34
GSTP1 P09211 2/20 0.34
ABL1 P00519 2/20 0.34
ABCB1 P08183 2/20 0.34
BCR P11274 2/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL26023370 0.86 ESR1 (0.48) ESR1ESR2CA1CA2CA9
SCHEMBL22019470 0.80 HPGD (0.33) HPGD
SCHEMBL22019476 0.79 HPGD (0.30) HPGD
SCHEMBL19002138 0.79 HSD17B1 (0.41) ESR1ESR2CA1CA2CA9
SCHEMBL18893211 0.79 ESR1 (0.40) ESR1ESR2CA1CA2CA9
SCHEMBL21250857 0.79 ESR1 (0.39) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL22999964 0.77 ESR1 (0.46) ESR1ESR2CA1CA2CA9
SCHEMBL22019266 0.77 L3MBTL1 (0.37) ESR1HPGD
SCHEMBL22019455 0.77 HPGD (0.31) HPGD
SCHEMBL18892993 0.77 GSTP1 (0.41) ESR1ESR2CA1CA2CA9

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-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer NOVALED GMBH (DE) 2020-05-21 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-20200161559-A1 Organic Electronic Device Comprising an Organic Semiconductor Layer C1S, YAP1, ESR1 ESR1 3/4885ESR2 18/4885CA1 2560/4885

“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.