SCHEMBL20551883

SCHEMBL20551883

OC1CCCCC1CC#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36
▸ APP P05067 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL29187191 0.75 NPC1 (0.50) HRH3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL38654297 0.72 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL21826347 0.70 SLC18A3 (0.40) SLC18A3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21826348 0.70 SLC18A3 (0.40) SLC18A3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21826350 0.70 SLC18A3 (0.40) SLC18A3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8414651 0.69 PTGS1 (0.55) SLC18A3POLB
SCHEMBL8417618 0.69 PTGS1 (0.55) SLC18A3POLB
SCHEMBL8417619 0.69 PTGS1 (0.55) SLC18A3POLB
SCHEMBL8414650 0.69 PTGS1 (0.55) SLC18A3POLB
SCHEMBL8414647 0.69 PTGS1 (0.55) SLC18A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339174-B2 γ-spiroketal-γ-lactones and pharmaceutical composition containing same and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-05-24 — — US claimed
US-20210198273-A1 GAMMA-SPIROKETAL-GAMMA-LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-01 — — US claimed
EP-3619214-A1 GAMMA-SPIROKETAL-GAMMA-LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2020-03-11 — — EP claimed
WO-2018203346-A1 γ-SPIROKETAL- γ –LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-11-08 — — WO claimed
US-11339174-B2 γ-spiroketal-γ-lactones and pharmaceutical composition containing same and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-05-24 — — US disclosed
US-20210198273-A1 GAMMA-SPIROKETAL-GAMMA-LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-01 — — 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-11339174-B2 γ-spiroketal-γ-lactones and pharmaceutical composition containing same and process for preparation thereof HSD17B7, PKD1, CYP17A1 SLC18A3 4432/4885HRH3 4574/4885CYP1A2 582/4885
US-20210198273-A1 GAMMA-SPIROKETAL-GAMMA-LACTONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PROCESS FOR PREPARATION THEREOF HSD17B7, PKD1, CYP17A1 SLC18A3 4381/4885HRH3 4483/4885CYP1A2 570/4885

“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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