SCHEMBL229486

SCHEMBL229486

NOC(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
MAPK1 P28482 2/20 0.61
ALDH1A1 P00352 1/20 0.61
PAM P19021 1/20 0.59
TSHR P16473 1/20 0.57
CES1 P23141 2/20 0.56
CES2 O00748 1/20 0.56
AKR1B1 P15121 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP19A1 P11511 1/20 0.47
SRR Q9GZT4 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL27980701 0.98 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL15820218 0.98 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1PAMTSHR
Ammonia Solution, Strong SCHEMBL28260174 0.98 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL27749803 0.84 ALDH1A1 (0.48) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL248113 0.81 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
Benzene SCHEMBL9407299 0.81 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL664857 0.81 ALDH1A1 (0.65) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL18269361 0.80 LOXL2 (0.47) L3MBTL1MAPK1ALDH1A1SMN1; SMN2HDAC6
SCHEMBL999003 0.80 ALDH1A1 (0.42) L3MBTL1MAPK1ALDH1A1PAMTSHR
SCHEMBL16066069 0.80 CA2 (0.59) L3MBTL1MAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698308-B Synthesis method of bromfenac sodium 山东辰龙药业有限公司 2024-06-21 CN claimed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US claimed
CN-112500325-A Alpha, omega-type chain transfer agent for reversible addition-fragmentation chain transfer RAFT polymerization, and preparation method and application thereof 北京吉乃尔科技有限公司 2021-03-16 CN claimed
WO-2020219419-A1 MULTIMERIC PAN–SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-10-29 WO claimed
CN-106946770-B High-activity imido phenylacetate compound and preparation method and application thereof 中国农业大学 2020-05-05 CN claimed
CN-109705088-A A kind of preparation method of Egelieting intermediate 深圳市第二人民医院 2019-05-03 CN claimed
CN-108947861-A The synthetic method of C14H10Cl2NNaO2 复旦大学 2018-12-07 CN claimed
CN-107973742-A The method for preparing 3- indole ketone compounds 重庆文理学院 2018-05-01 CN claimed
CN-104284891-B Conformationally constrained, fully synthetic macrocyclic compounds 波利弗尔股份公司 2018-04-17 CN claimed
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP claimed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 US claimed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 US claimed
EP-2264043-A1 Heterobifunctional pan-selectin inhibitors GlycoMimetics, Inc. (US) 2010-12-22 EP claimed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 US claimed
CN-101525603-A Immobilized alpha-amino-acid ester hydrolase, preparation and application thereof SICHUAN IND I OF ANTIBIOTICS C 2009-09-09 CN claimed
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 US claimed
EP-1934236-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GlycoMimetics, Inc. (US) 2008-06-25 EP claimed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 US claimed
WO-2007028050-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2007-03-08 WO claimed
WO-2006127906-A1 HETEROBIFUNCTIONAL COMPOUNDS FOR SELECTIN INHIBITION GLYCOMIMETICS, INC. (US) 2006-11-30 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 (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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG L3MBTL1 2197/4885MAPK1 2943/4885ALDH1A1 592/4885
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG L3MBTL1 2309/4885MAPK1 2943/4885ALDH1A1 679/4885
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL L3MBTL1 550/4885MAPK1 1844/4885ALDH1A1 1896/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG L3MBTL1 2309/4885MAPK1 2943/4885ALDH1A1 679/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG L3MBTL1 2261/4885MAPK1 3411/4885ALDH1A1 1387/4885

“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.