SCHEMBL645199

SCHEMBL645199

O=C(Cl)c1ccccc1Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
HTT P42858 2/20 0.51
MAPK8 P45983 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 2/20 0.48

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
SCHEMBL9244302 0.96 CTNNB1 (0.62) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL9243804 0.96 CTNNB1 (0.62) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL9325745 0.89 CTNNB1 (0.54) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL3357655 0.87 ALDH1A1 (0.52) CTNNB1SMN1; SMN2ALDH1A1TDP1HTT
SCHEMBL9244300 0.85 CTNNB1 (0.54) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL1683907 0.85 CTNNB1 (0.54) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL923513 0.84 CTNNB1 (0.53) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL466194 0.83 CTNNB1 (0.71) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL1798 0.83 CTNNB1 (0.71) CTNNB1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL4880275 0.83 AKR1C3 (0.49) CTNNB1SMN1; SMN2HPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
CN-117105897-A HNO donor compound and preparation method thereof 海南大学 2023-11-24 CN claimed
CN-117105826-A HNO-releasable compound and preparation method thereof 海南大学 2023-11-24 CN claimed
EP-0257374-A1 Phenoxybenzoic-acid derivatives BAYER AG (DE) 1988-03-02 EP claimed
EP-0030676-B1 DERIVATIVES OF PHENOXYBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND AS PLANT GROWTH REGULATORS BAYER AG (DE) 1984-02-08 EP claimed
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
CN-117105826-A HNO-releasable compound and preparation method thereof 海南大学 2023-11-24 CN disclosed
CN-117105897-A HNO donor compound and preparation method thereof 海南大学 2023-11-24 CN disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
US-20180282336-A1 Active Acrylamides SANDOZ AG (CH) 2018-10-04 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 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-20180282336-A1 Active Acrylamides BTK, SYK, LYN CTNNB1 2332/4885SMN1; SMN2 4473/4885RAB9A 4205/4885
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines BTK, ABL1, SYK CTNNB1 1718/4885SMN1; SMN2 4617/4885RAB9A 3357/4885

“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.