SCHEMBL355454

SCHEMBL355454

CC(C)(C)OC(=O)C(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 4/20 0.44
AAK1 Q2M2I8 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL6287210 0.83 L3MBTL1 (0.46) CES2CES1L3MBTL1ATMKMT2A
SCHEMBL27395438 0.82 APP (0.41) KMT2AAAK1CTSSCTSKALDH1A1
SCHEMBL8843604 0.82 CES2 (0.60) CES2CES1L3MBTL1ATMKMT2A
SCHEMBL20166011 0.82 LMNA (0.36) CES2CES1L3MBTL1KMT2AALDH1A1
SCHEMBL26785134 0.82 CES2 (0.46) CES2CES1L3MBTL1ATMKMT2A
SCHEMBL17965782 0.81 SRC (0.50) L3MBTL1ATMKMT2AAAK1CTSS
SCHEMBL7043298 0.81 L3MBTL1 (0.55) L3MBTL1ATMKMT2AAAK1CTSS
SCHEMBL3138807 0.81 MAPT (0.40) L3MBTL1KMT2AMAPTNPSR1TDP1
SCHEMBL8472341 0.81 NPSR1 (0.47) CES2CES1L3MBTL1KMT2AALDH1A1
SCHEMBL9462640 0.80 RAB9A (0.43) L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11819531-B2 Multifunctional zwitterionic polymer conjugates KODIAK SCIENCES INC. (US) 2023-11-21 US disclosed
US-20230277616-A9 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC. 2023-09-07 US disclosed
EP-2880012-B1 COMPOUNDS PHOTOCURE ASA (NO) 2021-12-15 EP disclosed
EP-2880012-B1 COMPOUNDS PHOTOCURE ASA (NO) 2021-12-15 EP disclosed
EP-3331890-B1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF UNIV ILLINOIS (US) 2021-11-24 EP disclosed
EP-3331890-B1 PROTECTED ORGANOBORONIC ACIDS WITH TUNABLE REACTIVITY, AND METHODS OF USE THEREOF UNIV ILLINOIS (US) 2021-11-24 EP disclosed
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-11-24 US disclosed
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-11-24 US disclosed
US-20170143841-A1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS KODIAK SCIENCES INC. 2017-05-25 US disclosed
US-20170143841-A1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS KODIAK SCIENCES INC. 2017-05-25 US disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed
US-4511720-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-16 US disclosed
US-4355033-A TREATMENT OF HYPERTENSION HOFFMAN-LA ROCHE INC. (US) 1982-10-19 US disclosed
US-4244957-A HYPOTENSIVE AGENTS HOFFMAN-LA ROCHE INC. (US) 1981-01-13 US disclosed
US-4144393-A 3-Acetoxymethyl cephalosporins having at position-7 a carboxy substituted α-etherified hydroxyiminoarylacetamido group GLAXO LABORATORIES LIMITED (GB) 1979-03-13 US disclosed
US-4103084-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-07-25 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-20230277616-A9 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES PHOSPHO1, MSN, ZW10 CES2 846/4885CES1 1746/4885L3MBTL1 2755/4885
US-20170143841-A1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS ACP1, PHOSPHO1, PARG CES2 1700/4885CES1 4072/4885L3MBTL1 3116/4885
US-10844081-B2 Protected organoboronic acids with tunable reactivity, and methods of use thereof CYP2B6, HMBS, DDT CES2 80/4885CES1 278/4885L3MBTL1 4199/4885
US-11819531-B2 Multifunctional zwitterionic polymer conjugates PHOSPHO1, MSN, ZW10 CES2 846/4885CES1 1746/4885L3MBTL1 2755/4885

“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.