SCHEMBL4800917

SCHEMBL4800917

O=C1CCCCC1c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
PLA2G6 O60733 4/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
BLM P54132 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
FAAH O00519 1/20 0.49
NPC1 O15118 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPC5 Q9UL62 1/20 0.49
TRPC6 Q9Y210 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL15874844 1.00 IDO1 (0.50) IDO1PLA2G6MAPTMAPK1ALDH1A1
SCHEMBL4802338 0.95 IDO1 (0.51) IDO1PLA2G6MAPTMAPK1ALDH1A1
SCHEMBL9328857 0.81 CYP11B1 (0.37) PLA2G6MAPTMAPK1ALDH1A1HPGD
SCHEMBL15658910 0.81 MAPT (0.36) IDO1PLA2G6MAPTMAPK1ALDH1A1
SCHEMBL19993851 0.81 NPSR1 (0.40) IDO1PLA2G6MAPTMAPK1ALDH1A1
SCHEMBL13997857 0.80 CYP1B1 (0.42) MAPTMAPK1ALDH1A1HPGDLMNA
SCHEMBL3250204 0.78 IDO1 (0.41) IDO1PLA2G6MAPTMAPK1ALDH1A1
SCHEMBL19993854 0.77 SMN1; SMN2 (0.40) MAPTBLMNPC1LMNARAB9A
SCHEMBL19993899 0.77 HCRTR1 (0.40) IDO1MAPTMAPK1ALDH1A1NPSR1
SCHEMBL21722167 0.77 GAA (0.43) MAPTMAPK1ALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 CN disclosed
CN-109232149-B Synthetic method of alpha-fluoro-alpha-substituted ketone with fluorine-containing quaternary carbon central structure 兰州大学 2021-04-02 CN disclosed
CN-111233599-A Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2020-06-05 CN disclosed
EP-3515914-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BeiGene, Ltd. (KY) 2019-07-31 EP disclosed
CN-106632200-B A kind of synthetic method of α-nitro cyclanone 兰州大学 2019-05-28 CN disclosed
CN-109232149-A A kind of synthetic method of the alpha-fluoro with fluorine-containing quaternary carbon center structure-alpha-substituted ketone 兰州大学 2019-01-18 CN disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
CN-107338043-A A kind of new racemic chirality organic boron nitrogen fluorescent chemicals and preparation method thereof 湖南大学 2017-11-10 CN disclosed
CN-106632200-A Synthesis method of alpha-nitrocycloalkanone 兰州大学 2017-05-10 CN disclosed
WO-2014109712-A1 PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION NANAYNG TECHNOLOGICAL UNIVERSITY (SG) 2014-07-17 WO disclosed
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
US-7332260-B2 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them CORNING INCORPORATED (US) 2008-02-19 US disclosed
EP-1119560-B1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM CORNING SA (FR) 2003-03-05 EP disclosed
US-6506538-B1 Ophthalmic lenses, contact lenses, solar protection glasses, filters, camera optics or photographic apparatus optics or other optical devices CORNING S.A. (FR) 2003-01-14 US disclosed
US-20020197562-A1 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them BREYNE OLIVIER (FR) 2002-12-26 US disclosed
CN-1315948-A Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO) polymer matrices containing them CORNING SA (FR) 2001-10-03 CN disclosed
EP-1119560-A1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM Corning S.A. (FR) 2001-08-01 EP disclosed
WO-2000015628-A1 NAPHTHOPYRANS ANNELATED IN C5-C6, THEIR PREPARATION AND COMPOSITIONS AND (CO) POLYMER MATRICES CONTAINING THEM CORNING S.A. (FR) 2000-03-23 WO disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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-20020197562-A1 Naphthopyrans annelated in C5-C6, their preparation and compositions and (CO)polymer matrices containing them C5, CCNC, C9 IDO1 369/4885PLA2G6 1631/4885MAPT 2510/4885

“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.