SCHEMBL21667783

SCHEMBL21667783

Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.83
▸ BCL2L1 Q07817 1/20 0.83
▸ ESR1 P03372 9/20 0.61
▸ ESR2 Q92731 7/20 0.61
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ PDE4A P27815 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ HSD17B1 P14061 1/20 0.54
▸ HSD17B2 P37059 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ CA3 P07451 1/20 0.53

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
SCHEMBL20323043 1.00 MMP3 (0.83) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL16420022 1.00 MMP3 (0.83) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL22147351 0.97 MMP3 (0.78) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL20323157 0.97 MMP3 (0.78) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL22147379 0.97 MMP3 (0.78) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL20323048 0.97 MMP3 (0.78) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL28979295 0.97 MMP3 (0.78) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL21667678 0.94 MMP3 (0.74) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL11645258 0.91 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
Biphenyl SCHEMBL9955402 0.91 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1

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-20200044158-A1 NOVEL COMPOUND, SEMICONDUCTOR MATERIAL, AND METHODS FOR MANUFACTURING COATING AND SEMICONDUCTOR USING THE SAME MERCK PATENT GMBH (DE) 2020-02-06 — — 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-20200044158-A1 NOVEL COMPOUND, SEMICONDUCTOR MATERIAL, AND METHODS FOR MANUFACTURING COATING AND SEMICONDUCTOR USING THE SAME TYR, TRPA1, CD99 MMP3 4561/4885BCL2L1 2490/4885ESR1 935/4885

“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.

Send feedback