SCHEMBL20277845

SCHEMBL20277845

CC1=C2CCC[C@@H](O)[C@]2(P)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.40
▸ CYP3A4 P08684 2/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL12140987 0.79 SHBG (0.53) SHBGCYP3A4
SCHEMBL4227246 0.79 SHBG (0.53) SHBGCYP3A4
SCHEMBL4220412 0.79 SHBG (0.53) SHBGCYP3A4
SCHEMBL11960923 0.79 SHBG (0.53) SHBGCYP3A4
SCHEMBL16988319 0.71 ESR1 (0.37) SHBGCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16988571 0.71 ESR1 (0.37) SHBGCYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16987905 0.69 SHBG (0.34) SHBGCYP3A4
SCHEMBL16988659 0.68 ESR1 (0.42) SHBG
SCHEMBL4232429 0.68 ESR1 (0.42) SHBG
SCHEMBL15195626 0.68 SHBG (0.59) SHBGCYP3A4MEN1ALDH1A1KMT2A

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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 — — US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 — — US disclosed
WO-2018111315-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORγ AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2018-06-21 — — WO 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA SHBG 1175/4885CYP3A4 801/4885MEN1 4404/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA SHBG 1175/4885CYP3A4 801/4885MEN1 4404/4885

“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.

Send feedback