SCHEMBL875039

SCHEMBL875039

CC(C)(C)c1cc(Br)c(O)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.58
HIF1A Q16665 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
TSHR P16473 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL28272294 0.98 ERN1 (0.56) ERN1HIF1ACYP2C9CYP1A2CYP2D6
SCHEMBL419690 0.86 ERN1 (0.58) ERN1CYP2C19ALDH1A1PIM1MEN1
SCHEMBL4879192 0.83 ERN1 (0.51) ERN1HIF1ACYP2C9CYP1A2CYP2D6
SCHEMBL12678851 0.81 HIF1A (0.39) ERN1HIF1ACYP2C9CYP1A2CYP2D6
SCHEMBL12813802 0.81 ERN1 (0.47) ERN1HSD17B10ALDH1A1ALOX15TDP1
SCHEMBL28311710 0.81 ERN1 (0.47) ERN1HIF1ACYP2C9CYP1A2CYP2D6
SCHEMBL2477063 0.81 ERN1 (0.52) ERN1CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL29785434 0.81 ERN1 (0.47) ERN1HIF1ACYP2C9CYP1A2CYP2D6
SCHEMBL727292 0.80 TSHR (0.73) HIF1ACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL29467330 0.79 ALOX5 (0.49) ERN1HIF1ACYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113856762-A High-poly Salen cobalt catalyst, preparation method and application 华今(山东)新材料科技有限公司 2021-12-31 CN claimed
CN-109134298-B Platinum dimer Schiff base complex and preparation method and application thereof 台州学院 2021-03-16 CN claimed
CN-106632489-B A kind of platinum green light material and preparation method thereof containing Schiff base ligand 台州学院 2019-04-30 CN claimed
CN-109134298-A A kind of preparation and application of dimerization schiff bases platinum complex 台州学院 2019-01-04 CN claimed
CN-117101726-A Metal complex catalyst and preparation method of 2, 4-trimethyl adipic acid 山东新和成维生素有限公司 2023-11-24 CN disclosed
CN-109970755-B Synthesis of substituted salicylaldehyde derivatives 沙特阿美技术公司 2022-04-05 CN disclosed
CN-113856762-A High-poly Salen cobalt catalyst, preparation method and application 华今(山东)新材料科技有限公司 2021-12-31 CN disclosed
US-11124522-B2 Chemosensor and a method of detecting palladium ions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2021-09-21 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
CN-109134298-B Platinum dimer Schiff base complex and preparation method and application thereof 台州学院 2021-03-16 CN disclosed
CN-109134298-B Platinum dimer Schiff base complex and preparation method and application thereof 台州学院 2021-03-16 CN disclosed
EP-0343866-A1 Aminophenol derivatives ICI AMERICAS INC. (US) 1989-11-29 EP disclosed
CN-88103112-A AMIDES 1988-12-28 CN disclosed
EP-0293171-A1 Pyrazinamide derivatives ICI AMERICAS INC. (US) 1988-11-30 EP disclosed
EP-0293170-A1 Aminomethylphenolic pyrazines, their preparation and use ICI AMERICAS INC. (US) 1988-11-30 EP disclosed
US-4221790-A Substituted 2,2-dioxo-1,2,3-benzoxathiazines MERCK & CO., INC. (US) 1980-09-09 US disclosed
EP-0011654-A1 Nuclear substituted 2-hydroxymethane-sulfamic acids and pharmaceutical compositions MERCK & CO. INC. (US) 1980-06-11 EP disclosed
US-4166177-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1979-08-28 US disclosed
US-4159279-A SALURETIC-DIURETICS, DERMATOLOGICAL DISORDERS, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-06-26 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 (2 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-11124522-B2 Chemosensor and a method of detecting palladium ions DDT, PDCD1, PDCD10 ERN1 4470/4885HIF1A 3114/4885CYP2C9 2248/4885
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 ERN1 3452/4885HIF1A 714/4885CYP2C9 1657/4885

“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.