SCHEMBL19645598

SCHEMBL19645598

CCCCC(C)(CCC)NC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29107041 0.95 TSHR (0.33) ALDH1A1EPHX1LMNATSHR
SCHEMBL13804589 0.89 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13181417 0.87 TSHR (0.40) EPHX1TSHR
SCHEMBL23371063 0.84 EPHX1 (0.31) EPHX1LMNATSHR
SCHEMBL13181419 0.84 TSHR (0.42) EPHX1TSHR
SCHEMBL22624028 0.84 TSHR (0.42) EPHX1TSHR
SCHEMBL20413846 0.84 TSHR (0.42) EPHX1TSHR
SCHEMBL24943233 0.84 TSHR (0.42) EPHX1TSHR
SCHEMBL18430943 0.84 TSHR (0.42) EPHX1TSHR
SCHEMBL21665296 0.80 FDPS (0.35) ALDH1A1EPHX1TSHR

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-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-13 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 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-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 ALDH1A1 3594/4885EPHX1 1111/4885LMNA 3180/4885
US-20230225195-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES H1-0, H1-2, H1-4 ALDH1A1 157/4885EPHX1 20/4885LMNA 1284/4885

“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.