SCHEMBL23568684

SCHEMBL23568684

Clc1ccc2c(c1)Cc1cc(-c3ccccc3)sc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ PTP4A3 O75365 2/20 0.38
▸ TDP2 O95551 2/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ PTP4A2 Q12974 1/20 0.36
▸ PTP4A1 Q93096 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 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
SCHEMBL16546079 0.84 HSD17B1 (0.41) HSD17B1ESR1PTP4A3TDP2PTP4A2
SCHEMBL23568683 0.75 HSD17B1 (0.36) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL31497079 0.73 HSP90AA1 (0.46) HSP90AA1CA1CA2CA4CA6
SCHEMBL23568424 0.72 PTP4A3 (0.38) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL17368871 0.71 PTP4A3 (0.40) HSD17B1ESR1PTP4A3CNR1PTP4A2
SCHEMBL1922789 0.71 METAP1 (0.57) HSP90AA1CA1CA2CA4CA6
SCHEMBL29572171 0.71 METAP1 (0.57) HSP90AA1CA1CA2CA4CA6
SCHEMBL23568061 0.71 PTP4A3 (0.50) HSP90AA1HSD17B1ESR1PTP4A3PTP4A2
SCHEMBL11525349 0.70 HSD17B1 (0.58) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL11521978 0.70 HSD17B1 (0.58) HSD17B1ESR1PTP4A3PTP4A2PTP4A1

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-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 — — US disclosed
WO-2021122868-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-06-24 — — 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-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, ETV6, ESR1 HSP90AA1 4393/4885CA1 3218/4885CA2 4313/4885

“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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