SCHEMBL4154660

SCHEMBL4154660

CNC(=O)c1ccc(OC)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
TP53 P04637 2/20 0.63
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
MTNR1A P48039 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B1 P14061 1/20 0.56
MITF O75030 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL6503058 0.84 TP53 (0.61) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL4939202 0.84 TP53 (0.66) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL13761422 0.83 TP53 (0.68) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL1003770 0.82 PLK1 (0.54) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL15546675 0.82 PLK1 (0.54) NPC1ALDH1A1GAAHPGDPKM
SCHEMBL17414618 0.82 NPC1 (0.68) NPC1ALDH1A1GAAHPGDHTT
SCHEMBL4767061 0.82 PLK1 (0.59) NPC1ALDH1A1GAAHPGDPKM
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.81 KMT2A (0.64) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL10793237 0.81 TP53 (0.71) NPC1TP53ALDH1A1GAAHPGD
SCHEMBL16149341 0.81 NPC1 (0.74) NPC1TP53ALDH1A1GAAHPGD

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101489988-A Process for alkenylation of carboxamides BASF AG (DE) 2009-07-22 CN disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
US-4668814-A ANTIULCER AGENTS, ANTIASHMATICS, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1987-05-26 US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 US disclosed
US-4621100-A Treatment of osteoporosis with prostaglandins THE UPJOHN COMPANY (US) 1986-11-04 US disclosed
US-4218378-A 11a-Methano-TXA compounds THE UPJOHN COMPANY (US) 1980-08-19 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 NPC1 3667/4885TP53 4835/4885ALDH1A1 1506/4885

“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.