SCHEMBL13423528

SCHEMBL13423528

CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC(=O)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 16/20 0.48
▸ PTGES O14684 2/20 0.48
▸ PNLIP P16233 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GGPS1 O95749 5/20 0.47
▸ BCL9 O00512 3/20 0.40
▸ CTNNB1 P35222 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL31238108 0.84 FDPS (0.61) FDPSPTGESPNLIPMEN1KMT2A
SCHEMBL18290240 0.73 FDPS (0.48) FDPSPTGESPNLIPMEN1KMT2A
Rosmanol SCHEMBL28962181 0.70 FDPS (0.65) FDPSPTGESPNLIPMEN1KMT2A
Epirosmanol SCHEMBL3272202 0.70 FDPS (0.65) FDPSPTGESPNLIPMEN1KMT2A
Rosmanol SCHEMBL13062163 0.70 FDPS (0.65) FDPSPTGESPNLIPMEN1KMT2A
Epirosmanol SCHEMBL29426648 0.70 FDPS (0.65) FDPSPTGESPNLIPMEN1KMT2A
Rosmanol SCHEMBL459610 0.70 FDPS (0.65) FDPSPTGESPNLIPMEN1KMT2A
SCHEMBL29385649 0.69 FDPS (0.64) FDPSPTGESPNLIPMEN1KMT2A
SCHEMBL18290246 0.69 FDPS (0.51) FDPSPTGESPNLIPMEN1KMT2A
SCHEMBL18290224 0.69 FDPS (0.48) FDPSPTGESPNLIPMEN1KMT2A

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-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

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 FDPS 56/4885PTGES 4/4885PNLIP 1182/4885

“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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