SCHEMBL19283113

SCHEMBL19283113

COC(=O)CNC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ MAPT P10636 1/20 0.74
▸ ALOX15 P16050 1/20 0.74
▸ AR P10275 2/20 0.60
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ KARS1 Q15046 3/20 0.47
▸ CCNE1 P24864 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 6/20 0.44
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
7-Oxocallitrisic Acid, Methyl Ester SCHEMBL15339316 0.85 CYP3A4 (1.00) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL2728587 0.85 CYP3A4 (0.70) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL2728589 0.85 CYP3A4 (0.70) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL19283122 0.82 KARS1 (0.68) CYP3A4MAPTALOX15KARS1CCNE1
SCHEMBL20364223 0.82 CYP3A4 (0.78) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL3212768 0.82 CYP3A4 (0.78) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL15344775 0.82 CYP3A4 (0.81) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL19293731 0.80 CYP3A4 (0.66) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL14201538 0.79 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTALOX15AR
SCHEMBL14207873 0.79 CYP3A4 (0.74) CYP3A4ALDH1A1MAPTALOX15AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — US disclosed
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — US disclosed
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — 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-20170247409-A1 ABIETANE-TYPE DITERPENOIDS CROCC, ROS1, RDX CYP3A4 1531/4885ALDH1A1 814/4885MAPT 3916/4885

“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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