SCHEMBL1243731

SCHEMBL1243731

O=C(OCCl)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5494998 0.98 ALDH1A1 (0.49) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL7516017 0.93
SCHEMBL7508338 0.88
SCHEMBL7253708 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AADRB2
SCHEMBL21343095 0.84 ALDH1A1 (0.42) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL1966553 0.83 ALDH1A1 (0.45) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL205737 0.81 ALDH1A1 (0.50) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL8845363 0.81 ALDH1A1 (0.50) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL10099631 0.81 ALDH1A1 (0.50) ALDH1A1CES2CES1SMN1; SMN2MEN1
SCHEMBL30688256 0.80 ALDH1A1 (0.42) ALDH1A1CES2CES1SMN1; SMN2MEN1

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 111 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
CN-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 US disclosed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
EP-4707284-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2026-03-11 EP 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
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 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 (3 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 524/4885CES2 399/4885CES1 511/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B ALDH1A1 1607/4885CES2 1409/4885CES1 3060/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS ALDH1A1 2478/4885CES2 660/4885CES1 1563/4885

“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.