SCHEMBL20121741

SCHEMBL20121741

CCCCCCC(C)(C)NC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
EPHX1 P07099 1/20 0.42
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL9213856 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL21159161 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL11647534 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL29105396 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL9211309 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL29105392 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL27524945 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL7597619 0.97 EPHX1 (0.38) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL8122880 0.89
Propylamine SCHEMBL11319219 0.89 DNM1 (0.42) TSHRTHRBEPHX1GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-13 US disclosed
EP-3307901-B1 PROCESS FOR THE PREPARATION OF 2,4- OR 2,5-PYRIDINEDICARBOXYLIC ACID BIOME BIOPLASTICS LTD (GB) 2022-04-27 EP disclosed
EP-3466490-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
US-9963452-B2 Methods, compounds, and compositions for inhibition of ROS AUGUSTA PHARMACEUTICALS INC. (US) 2018-05-08 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-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES H1-0, H1-2, H1-4 TSHR 4404/4885THRB 4509/4885EPHX1 20/4885

“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.