SCHEMBL3212768

SCHEMBL3212768

CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.78
▸ ALDH1A1 P00352 1/20 0.78
▸ MAPT P10636 1/20 0.78
▸ ALOX15 P16050 1/20 0.78
▸ ESR1 P03372 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ KARS1 Q15046 5/20 0.64
▸ RXRA P19793 1/20 0.64
▸ CCNE1 P24864 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ RXRB P28702 1/20 0.64
▸ RXRG P48443 1/20 0.64
▸ AR P10275 2/20 0.62
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ POLA1 P09884 3/20 0.43

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
SCHEMBL20364223 1.00 CYP3A4 (0.78) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL14207873 0.90 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTALOX15ESR1
7-Oxocallitrisic Acid, Methyl Ester SCHEMBL15339316 0.88 CYP3A4 (1.00) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL14201538 0.88 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL15344775 0.86 CYP3A4 (0.81) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL3706021 0.84 CYP3A4 (0.69) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL31291111 0.84 AR (0.68) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL20364222 0.83 CYP3A4 (0.62) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL19283113 0.82 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTALOX15ESR1
SCHEMBL15588776 0.81 ESR1 (1.00) CYP3A4ALDH1A1MAPTALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251570-A1 ZSM-5 ZEOLITES WITH WOOD LIGNIN OXIDIZED OR NOT Centre National de la Recherche Scientifique (FR) 2023-10-04 — — EP disclosed
WO-2022112478-A1 ZSM-5 ZEOLITES WITH WOOD LIGNIN OXIDIZED OR NOT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-06-02 — — WO disclosed
US-20100056615-A1 USE OF TRICYCLIC DITERPENES AND THEIR DERIVATIVES FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS AND/OR JOINT DISORDERS DSM IP ASSETS B.V. (NL) 2010-03-04 — — US disclosed
US-20100056615-A1 USE OF TRICYCLIC DITERPENES AND THEIR DERIVATIVES FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS AND/OR JOINT DISORDERS DSM IP ASSETS B.V. (NL) 2010-03-04 — — US disclosed
US-7495127-B2 Potassium channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-24 — — US disclosed
US-7495127-B2 Potassium channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-24 — — US disclosed
US-7385083-B2 Potassium channel opener TANABE SEIYAKU CO., LTD. (JP) 2008-06-10 — — US disclosed
US-7385083-B2 Potassium channel opener TANABE SEIYAKU CO., LTD. (JP) 2008-06-10 — — US disclosed
EP-1925301-A1 Use of tricyclic diterpenes and their derivatives for the treatment, co-treatment or prevention of inflammatory disorders and/or joint disorders DSMIP Assets B.V. (NL) 2008-05-28 — — EP 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-20100056615-A1 USE OF TRICYCLIC DITERPENES AND THEIR DERIVATIVES FOR THE TREATMENT, CO-TREATMENT OR PREVENTION OF INFLAMMATORY DISORDERS AND/OR JOINT DISORDERS TNF, VDR, CYP24A1 CYP3A4 660/4885ALDH1A1 781/4885MAPT 2360/4885

“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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