SCHEMBL640165

SCHEMBL640165

CC(C)(C)CCC(Br)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
RIPK1 Q13546 2/20 0.36
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL10068398 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL8734216 0.77 RIPK1 (0.40) ALDH1A1GRNSORT1RIPK1MEN1
SCHEMBL11658477 0.76 ALDH1A1 (0.44) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL2776377 0.76 ALDH1A1 (0.61) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL5965619 0.76 ALDH1A1 (0.61) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL6897321 0.75 ALDH1A1 (0.48) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL28316460 0.75 RIPK1 (0.39) ALDH1A1GRNSORT1RIPK1MEN1
SCHEMBL28314617 0.75 RIPK1 (0.39) ALDH1A1GRNSORT1RIPK1MEN1
SCHEMBL1691839 0.75 ALDH1A1 (0.48) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL11022237 0.75 ALDH1A1 (0.48) LCKPPARDZDHHC20ZDHHC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215749-A Apixaban intermediate and preparation method thereof 浙江九洲药业股份有限公司 2022-10-21 CN claimed
CN-112462047-B Nicarbazin detection kit and application thereof 北京元恩生物技术有限公司 2023-02-07 CN disclosed
CN-114349780-B Flusilazole hapten, antigen, antibody, detection device and detection method thereof 广东江门中医药职业学院 2022-06-24 CN disclosed
CN-114349780-A Flusilazole hapten, antigen, antibody, detection device and detection method thereof 广东江门中医药职业学院 2022-04-15 CN disclosed
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
WO-2010128401-A9 POLYUNSATURATED FATTY ACIDS FOR THE TREATMENT OF DISEASES RELATED TO CARDIOVASCULAR, METABOLIC AND INFLAMMATORY DISEASE AREAS PRONOVA BIOPHARMA NORGE AS (NO) 2011-12-08 WO disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO disclosed
US-5990341-A Diastereoselective synthesis hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1999-11-23 US disclosed
US-5587514-A Diastereoselective synthesis of hydroxyethylene dipeptide isosteres EMORY UNIVERSITY (US) 1996-12-24 US disclosed
WO-1995014655-A1 DIASTEREOSELECTIVE SYNTHESIS OF HYDROXYETHYLENE DIPEPTIDE ISOSTERES EMORY UNIVERSITY (US) 1995-06-01 WO disclosed
US-4474779-A ANTIBIOTICS, BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-10-02 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A LCK 4371/4885PPARD 1638/4885ZDHHC20 2859/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A LCK 4371/4885PPARD 1638/4885ZDHHC20 2859/4885

“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.