SCHEMBL1960554

SCHEMBL1960554

NCC(=O)OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HCAR2 Q8TDS4 1/20 0.54
APP P05067 1/20 0.54
LMNA P02545 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
AKR1B10 O60218 2/20 0.51

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
SCHEMBL15555967 0.89 LMNA (0.69) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL745476 0.87 LMNA (0.62) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28118444 0.87 TDP1 (0.72) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL275850 0.84 TDP1 (0.64) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL451184 0.84 TDP1 (0.68) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL22832718 0.84 TDP1 (0.81) TDP1NPC1RAB9AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4485687 0.83 TDP1 (0.62) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL9367557 0.82 TDP1 (0.92) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6025448 0.82 TDP1 (0.66) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8890081 0.82 TDP1 (0.66) TDP1NPC1RAB9AL3MBTL1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072486-B Alkaline ashless additive and lubricating composition containing said additive 路博润公司 2023-06-09 CN claimed
CN-116425754-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2023-07-14 CN disclosed
WO-2022025204-A1 TREATMENT OF DISEASE WITH EPOR ANTAGONIST エポメッド株式会社 2022-02-03 WO disclosed
US-11040939-B1 N-transfer reagent and method for preparing the same and its application NATIONAL CHENG KUNG UNIVERSITY (TW) 2021-06-22 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
WO-2020054813-A1 ANTI-ERYTHROPOIETIN RECEPTOR PEPTIDE エポメッド株式会社 2020-03-19 WO disclosed
WO-2011066869-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-06-09 WO disclosed
US-5580896-A Treatment of pain and colorectal cancer with dipeptoids of α-substituted Trp-Phe derivatives WARNER-LAMBERT COMPANY (US) 1996-12-03 US disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 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 (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-11040939-B1 N-transfer reagent and method for preparing the same and its application DNTT, NNMT, NMT1 TDP1 1698/4885NPC1 699/4885RAB9A 2060/4885

“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.