SCHEMBL16229100

SCHEMBL16229100

COC(=O)CC1C2CCC(C2)C1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.36

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
SCHEMBL13390625 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL7859286 0.83 HSD11B1 (0.58) HSD11B1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL7046134 0.83 HSD11B1 (0.58) HSD11B1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL9875732 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9875280 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9875282 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL1066268 0.81 TSHR (0.42) MEN1KMT2ACYP2C9CYP2C19TSHR
SCHEMBL17317476 0.79 CHRNB2 (0.52) HSD11B1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10248813 0.74 BRD4 (0.44) HSD11B1ALDH1A1TSHR
SCHEMBL5639352 0.74 SLC6A12 (0.46) TSHR

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-9353213-B2 Functional norbornanyl ester derivatives, polymers and process for preparing same YU HUI (US) 2016-05-31 US disclosed
US-20160122469-A1 Functional norbornanyl ester derivatives, polymers and process for preparing same YU HUI (US) 2016-05-05 US disclosed
US-8883897-B2 Functional norbornanyl ester derivatives, polymers and process for preparing same New Functional Polymers LLC (US) 2014-11-11 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-20160122469-A1 Functional norbornanyl ester derivatives, polymers and process for preparing same CYP1B1, DECR1, CAD HSD11B1 149/4885MEN1 2776/4885KMT2A 2354/4885

“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.