SCHEMBL3158018

SCHEMBL3158018

Cl[Ni]Cl.c1ccc([PH](CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL8618969 0.90 TSHR (0.33) TSHR
SCHEMBL837703 0.89 TSHR (0.36) TRPA1ALDH1A1MAPK1GSK3BHIF1A
SCHEMBL4309885 0.86 TSHR (0.35) TRPA1ALDH1A1TSHR
SCHEMBL1780038 0.86 TSHR (0.35) TRPA1ALDH1A1TSHR
SCHEMBL2441612 0.86 TSHR (0.35) TRPA1ALDH1A1TSHR
SCHEMBL1450028 0.84 ALDH1A1 (0.36) TRPA1ALDH1A1MAPK1GSK3BHIF1A
Hydrochloric Acid SCHEMBL1450025 0.83 TSHR (0.33) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL1451305 0.83 TSHR (0.33) ALDH1A1TSHR
SCHEMBL6356209 0.79 TRPA1 (0.36) TRPA1ALDH1A1MAPK1GSK3BHIF1A
SCHEMBL106258 0.78 TSHR (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
US-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
EP-0952135-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2005-01-05 EP disclosed
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 US disclosed
EP-1273562-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-01-08 EP disclosed
US-6468607-B1 MISCIBILITY, LARGE BIREFRINGENCE INDEX, NO STRONGLY POLAR GROUP IN ITS MOLECULE AND THUS CAN ALSO BE USED FOR ACTIVE MATRIX DRIVING, WIDE TEMPERATURE RANGE AND REQUIRES A HIGH SPEED RESPONSE AND A LOW VOLTAGE DRIVING DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-22 US disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 TRPA1 87/4885ALDH1A1 3248/4885MAPK1 2761/4885

“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.