SCHEMBL1279976

SCHEMBL1279976

CCCCCc1ccc(N2CCN(c3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.69
RARB P10826 7/20 0.68
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
RARA P10276 1/20 0.66
MAPT P10636 1/20 0.66
MTOR P42345 1/20 0.66
KMT2A Q03164 1/20 0.66
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 1/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51

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
SCHEMBL27466500 0.99 S1PR1 (0.71) S1PR1RARBALDH1A1MEN1RARA
Bromide SCHEMBL7339318 0.97 S1PR1 (0.70) S1PR1RARBALDH1A1MEN1RARA
SCHEMBL290118 0.86 RARB (0.89) RARBALDH1A1MEN1RARAMAPT
Cyclopropane SCHEMBL28261587 0.84 RARB (0.81) RARBALDH1A1MEN1RARAMAPT
SCHEMBL970162 0.84 RARB (0.90) RARBALDH1A1MEN1RARAMAPT
SCHEMBL18979307 0.84 RARB (0.90) RARBALDH1A1MEN1RARAMAPT
SCHEMBL503506 0.84 RARB (0.90) RARBALDH1A1MEN1RARAMAPT
Hydrochloric Acid SCHEMBL6557514 0.84 RARB (0.86) RARBALDH1A1MEN1RARAMAPT
SCHEMBL503648 0.84 RARB (0.90) RARBALDH1A1MEN1RARAMAPT
SCHEMBL270423 0.84 RARB (0.90) RARBALDH1A1MEN1RARAMAPT

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-8287969-B2 Isosorbide derivatives and liquid crystal displays comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-10-16 US disclosed
CN-102453037-A Isosorbide derivative and liquid crystal display comprising the same IND TECH RES INST 2012-05-16 CN disclosed
US-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-04-12 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-20120086902-A1 ISOSORBIDE DERIVATIVES AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME CX3CR1, CBX3, YBX3 S1PR1 3274/4885RARB 3012/4885ALDH1A1 2744/4885

“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.