Sugi Predict

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SCHEMBL6059786

SCHEMBL6059786

C=CCCc1ccc2cc(-c3ccc(-c4cc(F)c(OC)c(F)c4)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MAOB P27338 4/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ TUBB4A P04350 2/20 0.33
▸ TUBB P07437 2/20 0.33
▸ TUBA3C P0DPH7 2/20 0.33
▸ TUBA1B P68363 2/20 0.33
▸ TUBA4A P68366 2/20 0.33
▸ TUBB4B P68371 2/20 0.33
▸ TUBB3 Q13509 2/20 0.33
▸ TUBB2A Q13885 2/20 0.33
▸ TUBB8 Q3ZCM7 2/20 0.33
▸ TUBA3E Q6PEY2 2/20 0.33
▸ TUBA1A Q71U36 2/20 0.33
▸ TUBA1C Q9BQE3 2/20 0.33
▸ TUBB6 Q9BUF5 2/20 0.33

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
SCHEMBL3157624 0.94 PDGFRB (0.34) CYP17A1PDGFRBPDGFRAMAOBHRH3
SCHEMBL3162747 0.91 GRM2 (0.36) CYP17A1PDGFRBPDGFRAMAOBHRH3
SCHEMBL3965619 0.88 KIF11 (0.33) CYP17A1HRH3ESR1ESR2
SCHEMBL3152847 0.87 CYP17A1 (0.50) CYP17A1PDGFRBPDGFRAKDM4ENPC1
SCHEMBL27548692 0.87 FFAR1 (0.35) CYP17A1MAOBHRH3TUBB4ATUBB
SCHEMBL6058907 0.86 ESR1 (0.33) HRH3ESR1ESR2
SCHEMBL3262256 0.85 ESR1 (0.37) CYP17A1HRH3ESR1ESR2
SCHEMBL3153765 0.85 FFAR4 (0.33) HRH3ESR1ESR2
SCHEMBL6059460 0.85 TP53 (0.40) CYP17A1MAOBHSD17B1HSD17B2TUBB4A
SCHEMBL3165455 0.85 GRM2 (0.36) ESR1ESR2GRM2

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
EP-1452514-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-09-01 — — EP claimed
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

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 CYP17A1 425/4885PDGFRB 4849/4885PDGFRA 4822/4885

“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.