SCHEMBL14726024

SCHEMBL14726024

COc1cc(C(C)C)cc2c1CCC(=O)N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL14726042 0.82 ALDH1A1 (0.32) ALDH1A1HDAC4HDAC8
SCHEMBL14731236 0.80 TRIM24 (0.40) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL18022948 0.77 PTGS2 (0.42) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL12546173 0.69 TRIM24 (0.43) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL12057333 0.66 CYP11B1 (0.52) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL8738297 0.66 CYP11B2 (0.49) TRIM24CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL4156212 0.65 CYP11B1 (0.48) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL9793468 0.64 ERN1 (0.45) CYP3A4ALDH1A1HDAC4HDAC8CYP1A2
SCHEMBL6073506 0.64 CYP11B1 (0.47) TRIM24CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL17453069 0.64 MEN1 (0.42) TRIM24ALDH1A1GAALMNAMEN1

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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG TRIM24 3738/4885CYP11B1 3667/4885CYP11B2 3834/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA TRIM24 3851/4885CYP11B1 3532/4885CYP11B2 3580/4885

“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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