SCHEMBL93706

SCHEMBL93706

CCO[CH]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
TRPA1 O75762 1/20 0.37
LTA4H P09960 1/20 0.37
KCNH2 Q12809 1/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 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
SCHEMBL28054696 0.87 RELA (0.41) RELAKMT2ARAB9ACYP1A2CYP3A4
SCHEMBL789470 0.82 RELA (0.41) RELAKMT2AMEN1NR1I2MAOB
SCHEMBL815747 0.81 MEN1 (0.39) RELAKMT2AMEN1NR1I2TRPA1
SCHEMBL8340935 0.81 RELA (0.40) RELAKMT2AMEN1NR1I2MAOB
SCHEMBL9798232 0.79 ALDH1A1 (0.39) RELAMAOBMAOATRPA1CYP3A4
SCHEMBL8341640 0.79 RELA (0.39) RELAKMT2AMEN1NR1I2RAB9A
SCHEMBL317685 0.78 LTA4H (0.47) RELAKMT2AMEN1LTA4HCYP1A2
SCHEMBL5410674 0.76 TRPA1 (0.39) RELAKMT2AMEN1MAOBTRPA1
SCHEMBL60042 0.76 RELA (0.53) RELAKMT2AMEN1MAOBMAOA
SCHEMBL17836905 0.76 RELA (0.53) RELAKMT2AMEN1MAOBMAOA

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 1845 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238455-A1 A COMPOSITE FERRITE NANOPARTICLE WITH SYNERGISTIC ENHANCEMENT OF LIVER SPECIFICITY AND PREPARATION METHOD AND APPLICATION THEREOF XI'AN SUPERMAG BIO-NANOTECH CO., LTD. (CN) 2024-07-18 US claimed
EP-3575281-B1 DIAMINE COMPOUND, AND POLYIMIDE COMPOUND AND MOLDED ARTICLE IN WHICH SAID DIAMINE COMPOUND IS USED WINGO TECH CO LTD (JP) 2023-08-23 EP claimed
WO-2023122564-A2 TISSUE-SPECIFIC MANGANESE BASED MRI CONTRAST AGENTS CASE WESTERN RESERVE UNIVERSITY (US) 2023-06-29 WO claimed
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 EP claimed
CN-110272386-B Preparation method of nodispat 上海医药集团青岛国风药业股份有限公司 2022-09-09 CN claimed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 WO claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 WO claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
US-11168050-B2 Efficient synthesis of amines and amides from alcohols and aldehydes by using cascade catalysis XP CHEMISTRIES AB (SE) 2021-11-09 US claimed
US-4529721-A Human and veterinary bactericide SHIONOGI & CO., LTD. (JP) 1985-07-16 US claimed
EP-0037082-B1 PROCESS FOR THE PREPARATION OF 1-CARBAPENEMS AND INTERMEDIATES VIA SILYL-SUBSTITUTED DITHIOACETALS MERCK & CO. INC. (US) 1985-03-20 EP claimed
US-4444754-A SYNERGISTIC WITH PENICILLIN BEECHAM GROUP LIMITED (GB) 1984-04-24 US claimed
US-4426389-A BACTERICIDES, ENZYME INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-01-17 US claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4359473-A α-Amino deoxy clavulanic acid antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-11-16 US claimed
US-4343807-A BETA-LACTAMASE INHIBITORS, BACTERICIDES, ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1982-08-10 US claimed
US-4301168-A BACTERICIDES, BETA-LACTAMASE INHIBITORS BEECHAM GROUP LIMITED (GB) 1981-11-17 US claimed
EP-0005014-A1 Clavulanic acid derivatives, preparation and compositions BEECHAM GROUP PLC (GB) 1979-10-31 EP claimed
US-3940395-A CNS DEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-24 US 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 (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-11168050-B2 Efficient synthesis of amines and amides from alcohols and aldehydes by using cascade catalysis ADH5, ADH1A, ADH1C RELA 773/4885KMT2A 1699/4885MEN1 4401/4885

“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.