SCHEMBL5494998

SCHEMBL5494998

O=C(OCCl)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
MDM2 Q00987 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1243731 0.98 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL7516017 0.95
SCHEMBL7508338 0.90
SCHEMBL7253708 0.82 ALDH1A1 (0.44) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL30688256 0.82 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL21343095 0.81 ALDH1A1 (0.42) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL1966553 0.80 ALDH1A1 (0.45) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL31282747 0.80 GAA (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL12986878 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPT
SCHEMBL13195804 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
CN-109608436-A Substituted Methylformyl reagent and the method for improving compound physical chemistry and/or pharmacokinetic property using the reagent 斯法尔制药私人有限公司 2019-04-12 CN claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 WO claimed
CN-103607888-A Substituted methyl formyl reagents and methods of using the same to improve physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PRIVATE LTD 2014-02-26 CN claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 US disclosed
CN-115677718-B Methyl methylamine derivative preparation, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2024-11-01 CN disclosed
CN-115677718-A Methylmethylamine derivative preparation, pharmaceutical composition and application thereof 武汉思瓴生物科技有限公司 2023-02-03 CN disclosed
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) 2023-01-26 US disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5733924-A BACTERICIDES AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-31 US disclosed
CN-1163616-A DC107 derivatives KYOWA HAKKO KOGYO KK (JP) 1997-10-29 CN disclosed
EP-0786462-A1 DC107 DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-30 EP disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO 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-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS ALDH1A1 524/4885ADRB2 3965/4885ADRB1 3249/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B ALDH1A1 1607/4885ADRB2 594/4885ADRB1 940/4885
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF ROCK1, ROCK2, CIT ALDH1A1 2665/4885ADRB2 911/4885ADRB1 817/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS ALDH1A1 2478/4885ADRB2 4837/4885ADRB1 4798/4885

“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.