SCHEMBL3168671

SCHEMBL3168671

CCCCc1ccc2cc(-c3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.55
HSD11B1 P28845 2/20 0.51
BCHE P06276 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
RARB P10826 1/20 0.47
CYP1A2 P05177 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
CYP2A6 P11509 1/20 0.44
DHODH Q02127 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL3159165 0.95 HSD11B1 (0.53) PSMB5HSD11B1BCHESIGMAR1RARB
SCHEMBL3153624 0.93 HSD11B1 (0.51) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL3162990 0.93 HSD11B1 (0.51) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL20814645 0.91 HSD11B1 (0.49) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL20814575 0.91 HSD11B1 (0.49) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL20814569 0.91 HSD11B1 (0.49) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL20814553 0.91 HSD11B1 (0.49) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL20814576 0.91 HSD11B1 (0.49) PSMB5HSD11B1BCHERARBTRPV1
SCHEMBL3162554 0.89 ESR1 (0.48) PSMB5SIGMAR1CYP1A2HRH3ESR1
SCHEMBL3162953 0.86 SKP2 (0.46) PSMB5HSD11B1BCHESIGMAR1RARB

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-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 EP claimed
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-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 PSMB5 4631/4885HSD11B1 937/4885BCHE 4069/4885

“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.