SCHEMBL3152804

SCHEMBL3152804

CCC[C@H]1CC[C@H](c2ccc3cc(F)ccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.43
OPRL1 P41146 11/20 0.39
ESR2 Q92731 1/20 0.37

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
SCHEMBL3152813 1.00 CYP2C9 (0.48) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3166566 0.98 CYP2C9 (0.47) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3166552 0.98 CYP2C9 (0.47) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3166560 0.98 CYP2C9 (0.47) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3158120 0.90 SLC6A4 (0.43) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3161657 0.90 SLC6A4 (0.43) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3161668 0.90 SLC6A4 (0.43) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3161661 0.90 SLC6A4 (0.43) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3158116 0.90 SLC6A4 (0.43) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL3167700 0.90 SLC6A4 (0.48) CYP2C9SLC6A4SLC6A2SLC6A3ALDH1A1

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 CYP2C9 749/4885SLC6A4 2035/4885SLC6A2 1663/4885

“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.