SCHEMBL21260920

SCHEMBL21260920

O=C(c1ccccc1F)c1sc2cc(O)ccc2c1-c1ccc(-c2nc(O)co2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 13/20 0.51
▸ HSD17B1 P14061 3/20 0.36
▸ HSD17B2 P37059 3/20 0.36
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL21260777 0.91 ESR1 (0.49) ESR1HSD17B1HSD17B2MAOBMAPT
SCHEMBL21260919 0.90 ESR1 (0.48) ESR1HSD17B1HSD17B2ALDH1A1
SCHEMBL21261042 0.89 ESR1 (0.46) ESR1
SCHEMBL21260892 0.89 ESR1 (0.47) ESR1HSD17B1
SCHEMBL21260964 0.88 ESR1 (0.48) ESR1
SCHEMBL21261000 0.86 ESR1 (0.57) ESR1
SCHEMBL21260835 0.85 ESR1 (0.52) ESR1HSD17B1
SCHEMBL21261034 0.84 ESR1 (0.61) ESR1
SCHEMBL21260895 0.84 ESR1 (0.56) ESR1
SCHEMBL21261061 0.84 ESR1 (0.65) ESR1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 — — US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 — — 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-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 ESR1 1/4885HSD17B1 53/4885HSD17B2 42/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 ESR1 1/4885HSD17B1 53/4885HSD17B2 42/4885

“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.

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