SCHEMBL23310384

SCHEMBL23310384

CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2cc(OC)c(Cc3c(OC)cc(/C=C/c4ccc(N(CCCCCCCC)CCCCCCCC)cc4)cc3OC)c(OC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.45
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
NQO2 P16083 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
INSR P06213 1/20 0.42
SLC16A3 O15427 1/20 0.42

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
SCHEMBL23310344 0.83 SLC16A3 (0.41) SLC16A3SLC16A1PTGS2
SCHEMBL21614137 0.82 SLC16A3 (0.43) SLC16A3SLC16A1PTGS2
SCHEMBL23273055 0.82 SLC16A3 (0.43) SLC16A3SLC16A1PTGS2
SCHEMBL7719119 0.82 CHRM2 (0.54) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5712574 0.80 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL5712573 0.80 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL1832514 0.80 CHRM2 (0.55) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL23310383 0.80 SLC16A3 (0.42) SLC16A3SLC16A1
SCHEMBL2604957 0.79 CHRM2 (0.57) INSRCHRM2CHRM4CHRM5CHRM1
SCHEMBL9915633 0.79 CYP1A1 (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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 TUBB1 2177/4885TUBB4A 1480/4885TUBB 2453/4885

“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.