SCHEMBL5453470

SCHEMBL5453470

Cc1cc(OCCO)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 1/20 0.45
NR1I2 O75469 1/20 0.44
RECQL P46063 1/20 0.44
PDIA6 Q15084 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
Hydrochloric Acid SCHEMBL7447137 0.98 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1SLC6A2
SCHEMBL11705378 0.91 SLC6A2 (0.47) ALDH1A1CYP3A4TSHRTDP1SLC6A2
SCHEMBL10282187 0.89 PDIA6 (0.49) ALDH1A1CYP3A4TSHRTDP1SLC6A2
SCHEMBL10702555 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1PDIA6
SCHEMBL10870432 0.86 PDIA6 (0.51) ALDH1A1CYP3A4TSHRTDP1PDIA6
SCHEMBL10702177 0.86 PDIA6 (0.56) ALDH1A1CYP3A4TSHRTDP1SLC6A2
SCHEMBL29502972 0.85 SLC6A2 (0.45) ALDH1A1CYP3A4TDP1SLC6A2SLC6A4
SCHEMBL5550274 0.85 SLC6A2 (0.45) ALDH1A1CYP3A4TDP1SLC6A2SLC6A4
SCHEMBL11650358 0.85 PDIA6 (0.54) ALDH1A1CYP3A4TSHRTDP1PDIA6
SCHEMBL10870020 0.85 PDIA6 (0.54) ALDH1A1CYP3A4TSHRTDP1PDIA6

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
US-20230248837-A1 Technology for Modulating Targeting Chimeras Induced by Cell-Penetrating Peptide and Application Thereof LIU, MIAO (CN) 2023-08-10 US disclosed
US-RE48140-E1 Furanone derivative CARNA BIOSCIENCES, INC. (JP) 2020-08-04 US disclosed
US-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst L'OREAL (FR) 2019-04-09 US disclosed
EP-2692728-B1 NOVEL FURANONE DERIVATIVE CARNA BIOSCIENCES INC (JP) 2018-07-04 EP disclosed
US-RE46815-E1 Furanone derivative CARNA BIOSCIENCES, INC. (JP) 2018-05-01 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2016-05-12 US disclosed
WO-2014202787-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST L'OREAL (FR) 2014-12-24 WO disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
US-8742113-B2 Furanone derivative SBI BIOTECH CO., LTD. (JP) 2014-06-03 US disclosed
EP-2692728-A1 NOVEL FURANONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2014-02-05 EP disclosed
US-20140018533-A1 NOVEL FURANONE DERIVATIVE CARNA BIOSCIENCES, INC. (JP) 2014-01-16 US disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 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 (5 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-10251827-B2 Oxidation dyeing process using a composition comprising a monoaminobenzene and a metal catalyst KRT18, CYB5R3, CBR3 ALDH1A1 444/4885CYP3A4 545/4885TSHR 4139/4885
US-20140018533-A1 NOVEL FURANONE DERIVATIVE CYP11B1, OXER1, CYP11B2 ALDH1A1 345/4885CYP3A4 45/4885TSHR 2653/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885CYP3A4 3044/4885TSHR 1728/4885
US-20160128922-A1 OXIDATION DYEING PROCESS USING A COMPOSITION COMPRISING A MONOAMINOBENZENE AND A METAL CATALYST KRT18, CYB5R3, CBR3 ALDH1A1 441/4885CYP3A4 597/4885TSHR 4251/4885
US-20230248837-A1 Technology for Modulating Targeting Chimeras Induced by Cell-Penetrating Peptide and Application Thereof VIP, GHITM, MYCBP ALDH1A1 4851/4885CYP3A4 4039/4885TSHR 1587/4885

“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.