Sugi Predict

Sugi Predict / Compounds / SCHEMBL6059366

SCHEMBL6059366

SCHEMBL6059366

CCc1ccc2c(F)c(-c3cc(F)c(-c4ccc(OC(F)(F)F)cc4)c(F)c3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ GPR3 P46089 1/20 0.32

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
SCHEMBL6059671 0.92 PTGDR2 (0.35) PTGDR2ALOX5APFEN1GRM2TSHR
SCHEMBL3158058 0.91 GRM2 (0.39) PTGDR2ALOX5APFEN1GRM2TSHR
SCHEMBL3965604 0.91 MPL (0.37) PTGDR2ALOX5APFEN1GRM2GSK3B
SCHEMBL3166368 0.90 ALOX5AP (0.43) PTGDR2ALOX5APFEN1GRM2TSHR
SCHEMBL3167050 0.90 RARB (0.35) PTGDR2ALOX5APFEN1GRM2GSK3B
SCHEMBL3165777 0.89 GRM2 (0.38) PTGDR2GRM2TSHRGSK3BCYP1A2
SCHEMBL3163001 0.89 CACNA1H (0.33) ALOX5APFEN1GRM2
SCHEMBL3168291 0.89 RARB (0.37) PTGDR2ALOX5APFEN1GRM2GSK3B
SCHEMBL3163451 0.89 RARB (0.37) PTGDR2ALOX5APFEN1GRM2GSK3B
SCHEMBL3168727 0.89 FFAR1 (0.32) CYP1A2CYP2A6FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PTGDR2 2340/4885ALOX5AP 1638/4885FEN1 3373/4885

“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.