SCHEMBL4076362

SCHEMBL4076362

Cc1ccc(C(Br)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
LMNA P02545 4/20 0.47
KEAP1 Q14145 6/20 0.46
NFE2L2 Q16236 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
ACHE P22303 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9277030 0.82 CES2 (0.52) CES2CES1LMNAKEAP1NFE2L2
SCHEMBL21495114 0.82 CES2 (0.52) CES2CES1LMNAKEAP1NFE2L2
SCHEMBL4018555 0.82 CES2 (0.52) CES2CES1CNR2POLB
SCHEMBL234580 0.80 CES2 (0.76) CES2CES1LMNACYP2C19
SCHEMBL5899350 0.80 CES2 (0.76) CES2CES1LMNACYP2C19
Benzene SCHEMBL28201061 0.80 CES2 (0.76) CES2CES1LMNACYP2C19
SCHEMBL604040 0.80 CES2 (0.76) CES2CES1LMNACYP2C19
SCHEMBL9285788 0.80 ALDH1A1 (0.43) CES2CES1LMNAKEAP1NFE2L2
SCHEMBL8763327 0.80 ALOX5 (0.48) CES2CES1LMNASMN1; SMN2ALDH1A1
SCHEMBL19937907 0.80 CES2 (0.40) CES2CES1LMNAKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
EP-1874298-A4 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV PHARMACEUTICAL INC (US) 2009-08-05 EP disclosed
CN-101272684-A Methods and compositions for the treatment of neuropathies and related disorders DOV PHARMACEUTICAL INC (US) 2008-09-24 CN disclosed
EP-1915148-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 EP disclosed
EP-1874298-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3,1,0]HEXANES DOV Pharmaceutical Inc. (US) 2008-01-09 EP disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US disclosed
WO-2006096810-A2 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1-ARYL-3-AZABICYCLO[3.1.0] HEXANES DOV PHARMACEUTICAL, INC. (US) 2006-09-14 WO disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 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-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 CES2 243/4885CES1 630/4885LMNA 1263/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 CES2 165/4885CES1 370/4885LMNA 3714/4885

“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.