SCHEMBL18177631

SCHEMBL18177631

COC(=O)C1(C)CC1(C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL28710888 0.76 MEN1 (0.50) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL3341865 0.74 MEN1 (0.48) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL6005836 0.70 CYP3A4 (0.48) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL11941449 0.70 MEN1 (0.46) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL11941497 0.70 MEN1 (0.46) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL10690351 0.70 KMT2A (0.46) MEN1KMT2ALMNANPSR1
SCHEMBL15344682 0.69 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19
SCHEMBL28857096 0.68 MEN1 (0.48) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL6736653 0.66 MEN1 (0.41) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL14205235 0.65 NPSR1 (0.33) MEN1KMT2ALMNANPSR1

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-9783511-B2 Carbamate benzoxazine propionic acids and acid derivatives for modulation of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2017-10-10 US disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 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-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC MEN1 2347/4885KMT2A 780/4885LMNA 3946/4885

“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.