SCHEMBL12586961

SCHEMBL12586961

N/C(=N/O)c1cccc(C(=O)OCCCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL12643428 1.00 TDP1 (0.47) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12113871 0.99 TDP1 (0.46) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12112450 0.99 TDP1 (0.46) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12586965 0.99 TDP1 (0.46) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12354563 0.96 TDP1 (0.45) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12362249 0.96 TDP1 (0.45) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12587117 0.90 KDM1A (0.41) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12587047 0.85 SMN1; SMN2 (0.41) TDP1GAAMAPTLMNAKDM1A
SCHEMBL16572032 0.85 CYP1A2 (0.52) TDP1RAB9ANPC1GAAMAPT
SCHEMBL12587020 0.80 TDP1 (0.49) TDP1RAB9ANPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 — — US disclosed
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 — — US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 — — US disclosed
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 — — 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 (2 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-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND H1-2, H1-0, CCNL2 TDP1 2318/4885RAB9A 1669/4885NPC1 1265/4885
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 TDP1 3752/4885RAB9A 2026/4885NPC1 4680/4885

“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.

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