SCHEMBL22089087

SCHEMBL22089087

C[C@]12CCC3c4ccc(F)cc4CCC3C1[C@H](CCC(=O)N1CCCC1)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ STS P08842 4/20 0.47
▸ HSD17B1 P14061 2/20 0.43
▸ AKR1B10 O60218 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ SHBG P04278 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ SERPINA6 P08185 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ AR P10275 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ SNCA P37840 1/20 0.42

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
SCHEMBL22089301 0.88 HRH3 (0.46) HRH3KCNH2STSHSD17B1AKR1C3
SCHEMBL4886059 0.88 STS (0.55) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL4886055 0.88 STS (0.55) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL22088759 0.88 STS (0.58) HRH3STSHSD17B1AKR1B10LMNA
SCHEMBL22089407 0.88 STS (0.58) HRH3STSHSD17B1AKR1B10LMNA
SCHEMBL22088765 0.85 STS (0.47) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL22236691 0.85 STS (0.47) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL22089406 0.85 STS (0.47) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL22088767 0.85 STS (0.47) HRH3KCNH2STSHSD17B1AKR1B10
SCHEMBL20579093 0.85 HRH3 (0.40) HRH3KCNH2STSCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891167-B1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 Organon R&D Finland Oy (FI) 2024-11-13 — — EP disclosed
US-20220041647-A1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 FORENDO PHARMA LTD. (FI) 2022-02-10 — — US disclosed
CN-113412269-A Estra-1, 3,5(10) -trienes having a condensed pyrazole ring in position 16(17) as 17-HSD1 inhibitors 佛恩多制药有限公司 2021-09-17 — — CN disclosed
WO-2020115371-A1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 FORENDO PHARMA LTD (FI) 2020-06-11 — — 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-20220041647-A1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 HSD17B11, CYP19A1, HSD17B1 HRH3 1297/4885KCNH2 2874/4885STS 32/4885

“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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