SCHEMBL20323369

SCHEMBL20323369

Cc1ccc2c(c1)C(C(C)C)(C(C)C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.44
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ ELANE P08246 1/20 0.39
▸ ATM Q13315 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ METAP1 P53582 2/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ RAD52 P43351 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL12409771 0.77 PDK2 (0.37) PGRMAOAKDM4EATMHTT
SCHEMBL3368868 0.77 PGR (0.69) PGRMAOAMAOBKDM4EELANE
SCHEMBL30457782 0.71 CA1 (0.40) PGRMAOAMAOBKDM4EELANE
SCHEMBL12306480 0.70 PDK2 (0.46) PGRMAOBKDM4EELANEATM
SCHEMBL20901385 0.70 PDK2 (0.46) PGRMAOBKDM4EELANEATM
SCHEMBL13020883 0.70 PDK2 (0.46) PGRMAOBKDM4EELANEATM
SCHEMBL11817823 0.69 PGR (0.41) PGRMAOAMAOBKDM4EATM
SCHEMBL17016643 0.68 MEN1 (0.42) PGRMAOBKDM4EHTTMETAP1
SCHEMBL15315863 0.67 METAP1 (0.42) PGRMAOAMAOBKDM4EELANE
SCHEMBL5648628 0.67 PGR (0.49) PGRMAOAMAOBKDM4EELANE

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-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — 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-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 PGR 397/4885MAOA 2999/4885MAOB 2977/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PGR 397/4885MAOA 2999/4885MAOB 2977/4885

“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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