SCHEMBL23310348

SCHEMBL23310348

CCCCCCCCN(CCCCCCCC)c1cc(C)c(C(C#N)c2c(C)cc(N(CCCCCCCC)CCCCCCCC)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
CRHR1 P34998 2/20 0.32
KCNH2 Q12809 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL23310390 0.86 SLC16A3 (0.35) SLC16A3SLC16A1CRHR1
SCHEMBL23310347 0.81 SLC16A3 (0.46) SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL11794990 0.74 ESR1 (0.45)
SCHEMBL32667880 0.74 DNM1 (0.35) KCNH2RXRARXRBRXRG
SCHEMBL21614135 0.74 CCR5 (0.36) KCNH2RXRARXRBRXRG
SCHEMBL23310389 0.72 SLC16A3 (0.44) SLC16A3SLC16A1
SCHEMBL2154654 0.72 DNM1 (0.42) SLC16A3SLC16A1KCNH2RXRARXRB
SCHEMBL3214629 0.71 NPC1 (0.42) CRHR1KCNH2RXRARXRBRXRG
SCHEMBL14573745 0.70 ALDH1A1 (0.34) KCNH2RXRARXRBRXRG
SCHEMBL5554780 0.69 MAPT (0.51) SLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials UNIVERSITÉ PARIS CITÉ (FR) 2021-04-29 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-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials MITF, LRAT, APOL1 SLC16A3 611/4885SLC16A1 778/4885CRHR1 2985/4885

“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.