SCHEMBL896998

SCHEMBL896998

[NH]C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR7 P34969 2/20 0.42
HTR2B P41595 2/20 0.42
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL1830397 0.88 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8671794 0.87 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830400 0.87 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL135489 0.85 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8473291 0.85 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7699409 0.85 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8473288 0.85 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6502789 0.85 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL425742 0.85 PNMT (0.58) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29892750 0.85 PNMT (0.58) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650827-A Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2023-01-31 CN claimed
CN-115651043-A Preparation method of anthracycline derivative 戊言医药科技(上海)有限公司 2023-01-31 CN claimed
CN-114853822-A Oligonucleotide-disulfide and synthetic method thereof 康龙化成(宁波)科技发展有限公司 2022-08-05 CN claimed
CN-108070009-B Method for preparing DNA coding compound library and initial fragment compound and prepared DNA coding compound 上海药明康德新药开发有限公司 2021-04-13 CN claimed
CN-107629016-B Evans blue complex and preparation method and application thereof 莎穆(上海)生物科技有限公司 2020-05-22 CN claimed
US-10562931-B2 Process for the preparation of (1S, 4S, 7Z, 10S, 16E, 21R)-7-ethyldene-4,21-bis(1-methyl-ethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3, 6, 9, 19, 22-pentone MSN LABORATORIES PRIVATE LIMITED (IN) 2020-02-18 US claimed
US-20180312538-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)-7-ETHYLDENE-4,21-BIS(1-METHYL-ETHYL)-2-OXA-12,13-DITHIA-5,8,20,23-TETRAAZABICYCLO [8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE MSN LABORATORIES PRIVATE LIMITED (IN) 2018-11-01 US claimed
WO-2017068596-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)- 7-ETHYLIDENE-4,21-BIS(1-METHYLETHYL)-2-OXA-12,13-DITHIA-5, 8, 20, 23- TETRAAZABICYCLO[8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE MSN LABORATORIES PRIVATE LIMITED (IN) 2017-04-27 WO claimed
JP-2007509921-A 2007-04-19 JP claimed
US-20070043035-A1 Novel compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-02-22 US claimed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US claimed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1240157-A2 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT Zentaris AG (DE) 2002-09-18 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2001047913-A2 SUBSTITUTED N-BENZYL-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES HAVING AN ANTI-TUMORAL EFFECT ZENTARIS AG (DE) 2001-07-05 WO claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
WO-1999002532-A2 PARTIALLY HYDROGENATED POLYCYCLIC COMPOUNDS NOVARTIS AG (CH) 1999-01-21 WO claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20180312538-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF (1S, 4S, 7Z, 10S, 16E, 21R)-7-ETHYLDENE-4,21-BIS(1-METHYL-ETHYL)-2-OXA-12,13-DITHIA-5,8,20,23-TETRAAZABICYCLO [8.7.6]TRICOS-16-ENE-3, 6, 9, 19, 22-PENTONE IL17A, HSD17B7, SULT1E1 PNMT 2610/4885NPC1 4716/4885RAB9A 3840/4885
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 PNMT 2710/4885NPC1 25/4885RAB9A 1079/4885
US-20070043035-A1 Novel compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, LIPC PNMT 3018/4885NPC1 44/4885RAB9A 1734/4885
US-10562931-B2 Process for the preparation of (1S, 4S, 7Z, 10S, 16E, 21R)-7-ethyldene-4,21-bis(1-methyl-ethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3, 6, 9, 19, 22-pentone SULT1E1, IL17A, TET1 PNMT 2049/4885NPC1 4608/4885RAB9A 3110/4885

“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.