SCHEMBL3242805

SCHEMBL3242805

O=C(O)CCc1cccc(CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
PTPRB P23467 1/20 0.57
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
PTEN P60484 1/20 0.57
PTPMT1 Q8WUK0 1/20 0.57
FFAR1 O14842 7/20 0.57
TBXA2R P21731 1/20 0.48
FFAR4 Q5NUL3 2/20 0.48
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 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
SCHEMBL70271 0.90 KEAP1 (0.74) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL27649319 0.89 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
Hydrochloric Acid SCHEMBL10982620 0.88 KEAP1 (0.71) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL19501289 0.85 ALDH1A1 (0.62) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL8435278 0.84 FFAR1 (0.80) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL4407150 0.82 KEAP1 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL9051375 0.82 FFAR1 (0.64) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL30638471 0.82 KEAP1 (0.63) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL11981977 0.81 KEAP1 (0.61) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL8614478 0.81 KEAP1 (0.67) KEAP1PTPRBCDC25ACDC25BPTEN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874290-A Cement composite material containing steel slag waste and preparation method thereof 北京中环鑫汇科技有限公司 2025-04-25 CN claimed
CN-119874290-A Cement composite material containing steel slag waste and preparation method thereof 北京中环鑫汇科技有限公司 2025-04-25 CN disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
US-4668698-A [(4-phenyl-1,3-dioxan-cis-5-yl)alkyl]phenylalkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-26 US disclosed
US-4175202-A 4,5,6-Trinor-3,7,-inter-m-phenylene prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1979-11-20 US disclosed
US-4084058-A HYPOTENSIVES, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1978-04-11 US disclosed
US-4020097-A HYPOTENSIVE, ANTICOAGULANT THE UPJOHN COMPANY (US) 1977-04-26 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 (4 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 KEAP1 520/4885PTPRB 4291/4885CDC25A 3000/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 KEAP1 52/4885PTPRB 4672/4885CDC25A 3654/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 KEAP1 520/4885PTPRB 4291/4885CDC25A 3000/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 KEAP1 419/4885PTPRB 4608/4885CDC25A 3267/4885

“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.