SCHEMBL1819968

SCHEMBL1819968

CCCCCc1ccc(-c2cc3ccccc3oc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ NPC1 O15118 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ GAPDH P04406 2/20 0.58
▸ NCOA1 Q15788 1/20 0.58
▸ NCOA3 Q9Y6Q9 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 2/20 0.53
▸ GLA P06280 2/20 0.51
▸ MAOA P21397 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ ACHE P22303 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL18523587 0.84 ESR2 (0.67) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL18535713 0.83 MAOB (0.49) MAOBRAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL25853393 0.83 ESR2 (0.65) RAB9AALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL21524274 0.82 NPC1 (0.64) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL6689326 0.82 TP53 (0.74) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL23713540 0.81 NPC1 (0.54) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL22625189 0.81 CNR1 (0.49) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL22590870 0.81 KDM4E (0.54) RAB9AALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL17807912 0.80 ALDH1A1 (0.72) MAOBRAB9AALDH1A1KDM4ENPC1
SCHEMBL18535419 0.80 NPC1 (0.55) MAOBRAB9AALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958945-B1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-11-12 — — EP disclosed
US-8366963-B2 Compound having hydrocoumarin skeleton, liquid crystal compostition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-05 — — US disclosed
US-8366963-B2 Compound having hydrocoumarin skeleton, liquid crystal compostition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-05 — — US disclosed
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 — — US disclosed
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 — — US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 — — US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 — — US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 — — US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 — — US disclosed
EP-1958945-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2008-08-20 — — 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 (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-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE HCN2, PIEZO1, TRPV4 MAOB 4652/4885RAB9A 4147/4885ALDH1A1 3098/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MAOB 4167/4885RAB9A 4762/4885ALDH1A1 3754/4885

“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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