SCHEMBL2876753

SCHEMBL2876753

COc1cc(OC)c(CSCc2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.39
PTPN1 P18031 1/20 0.39
APLNR P35414 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
ERN1 O75460 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
SCHEMBL18029867 0.90 CA12 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL18844566 0.88 PTPN1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL2965027 0.84 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA7
SCHEMBL24709121 0.84 NOS3 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL2096172 0.83 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL2337842 0.82 CYP1A2 (0.55) ALDH1A1CYP1A2CYP3A4PTPN1USP2
SCHEMBL26195306 0.79 CA1 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL24709120 0.79 PTPN1 (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL21807191 0.79 CA1 (0.32) ALDH1A1CA12CA1CA2CA7
SCHEMBL14812563 0.79 HTT (0.33) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530417-B A kind of multiple functionalized H types polyethyleneglycol derivative and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2017-09-08 CN claimed
CN-104530415-B A kind of different functionalization Y types polyethyleneglycol derivative, preparation method and its bio-related substance 厦门赛诺邦格生物科技股份有限公司 2017-09-01 CN claimed
WO-2004061416-A2 METHODS FOR ATTACHING MOLECULES GENORX, INC. (US) 2004-07-22 WO claimed
US-20040048241-A1 Methods for attaching molecules GENORX, INC. 2004-03-11 US claimed
WO-2023072816-A1 MULTIANTENNARY GLYCOLIPID MIMETICS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2023-05-04 WO disclosed
EP-4174074-A1 MULTIANTENNARY GLYCOLIPID MIMETICS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2023-05-03 EP disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-9017726-B2 Biodegradable and thermosensitive poly(organophosphazene)-superparamagnetic nanoparticle complex, preparation method and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-28 US disclosed
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-01-30 US disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
US-5958926-A FOR TREATING SEXUAL DISORDERS NITROMED, INC. (US) 1999-09-28 US disclosed
EP-0941086-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES Nitromed, Inc. (US) 1999-09-15 EP disclosed
EP-0904266-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS Nitromed, Inc. (US) 1999-03-31 EP disclosed
US-5874437-A Nitrosated and nitrosylated phosphodiesterase inhibitor compounds, compositions and their uses NITROMED, INC. (US) 1999-02-23 US disclosed
US-5824669-A Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders NITROMED, INC. (US) 1998-10-20 US disclosed
WO-1998019672-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES 1998-09-11 WO disclosed
WO-1998019672-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED INC. (US) 1998-05-14 WO disclosed
WO-1997034871-A1 NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS NITROMED, INC. (US) 1997-09-25 WO 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 (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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL ALDH1A1 2323/4885CA12 1692/4885CA1 954/4885
US-20140031289-A1 POLY(ORGANOPHOSPHAZENE) CONTAINING DEGRADATION CONTROLLABLE IONIC GROUP, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PLCB3, INPP5D ALDH1A1 4053/4885CA12 964/4885CA1 525/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 ALDH1A1 1582/4885CA12 2348/4885CA1 3481/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 ALDH1A1 1582/4885CA12 2348/4885CA1 3481/4885

“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.