SCHEMBL5319753

SCHEMBL5319753

Oc1ccc2c(c1)Cc1cc3ccccc3cc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ DRD2 P14416 11/20 0.46
▸ DRD1 P21728 11/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ DRD5 P21918 9/20 0.45
▸ DRD3 P35462 9/20 0.45
▸ DRD4 P21917 7/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL5269525 0.89 HSD17B1 (0.50) HSD17B1CYP1A2ESR1ESR2DRD2
SCHEMBL5030308 0.89 HSD17B1 (0.50) HSD17B1CYP1A2ESR1ESR2DRD2
SCHEMBL14007352 0.84 CYP1A2 (0.48) CYP1A2ESR1ESR2DRD2DRD1
SCHEMBL29439100 0.83 HSD17B1 (0.64) HSD17B1ESR1ESR2DRD2DRD1
SCHEMBL30924248 0.83 MEN1 (0.46) CYP1A2CA1CA2MAOAMAOB
SCHEMBL1655232 0.83 MEN1 (0.46) CYP1A2CA1CA2MAOAMAOB
SCHEMBL788852 0.83 HSD17B1 (0.64) HSD17B1ESR1ESR2DRD2DRD1
SCHEMBL25940944 0.82 CYP1A2 (0.47) CYP1A2ESR1ESR2DRD2DRD1
SCHEMBL217399 0.82 KDM4E (0.59) HSD17B1CYP1A2ESR1ESR2DRD2
SCHEMBL29373696 0.82 KDM4E (0.59) HSD17B1CYP1A2ESR1ESR2DRD2

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
EP-1272471-B1 NON-STEROIDAL, TETRACYCLIC COMPOUNDS FOR ESTROGEN-RELATED TREATMENTS ORGANON NV (NL) 2007-10-03 — — EP disclosed
US-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments N.V. ORGANON (NL) 2003-07-31 — — 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-20030144313-A1 Non-steroidal, tetracylic compounds for estrogen-related treatments ESRRA, ESRRB, ESRRG HSD17B1 61/4885CYP1A2 302/4885ESR1 6/4885

“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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