SCHEMBL22275

SCHEMBL22275

COc1cccc(OC)c1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2C P28335 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR3C1 P04150 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLL Q9UGP5 1/20 0.36
S1PR1 P21453 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL30645476 0.86 HTR1A (0.42) ABCB1HTR1ADRD2HTR2CKMT2A
SCHEMBL3499337 0.85 ALOX5AP (0.37) ABCB1HTR1AHTR2CALOX5APFEN1
SCHEMBL29396495 0.84 ABCB1 (0.50) ABCB1HTR1ADRD2HTR2CKMT2A
SCHEMBL20577705 0.84 ABCB1 (0.50) ABCB1HTR1ADRD2HTR2CKMT2A
SCHEMBL28153816 0.82 ABCB1 (0.38) ABCB1HTR1ASMN1; SMN2HIF1AALOX5AP
SCHEMBL28555522 0.82 ABCB1 (0.40) ABCB1KMT2AMEN1NR3C1SIGMAR1
SCHEMBL851115 0.81 HTR2C (0.34) ABCB1HTR1AHTR2CS1PR1HPGD
SCHEMBL27901929 0.80 ABCB1 (0.46) ABCB1HTR1ADRD2KMT2AMEN1
SCHEMBL28204910 0.79 ABCB1 (0.60) ABCB1DRD2HTR2CKMT2AMEN1
Phosphine SCHEMBL11895753 0.78 ABCB1 (0.45) ABCB1HTR1ADRD2HTR2CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182496-A1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LIMITED (IN) 2024-06-06 US claimed
EP-3704100-B1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LTD (IN) 2023-08-30 EP claimed
EP-3737685-B1 PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LTD (IN) 2023-03-29 EP claimed
US-11014944-B2 Process for the preparation of crisaborole and its intermediates HALCYON LABS PRIVATE LIMITED (IN) 2021-05-25 US claimed
EP-3818038-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES Merck Patent GmbH (DE) 2021-05-12 EP claimed
US-20210070778-A1 NOVEL PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LIMITED (IN) 2021-03-11 US claimed
EP-3737685-A1 PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES Halcyon Labs Private Limited (IN) 2020-11-18 EP claimed
EP-3704100-A1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES Halcyon Labs Private Limited (IN) 2020-09-09 EP claimed
US-20200262848-A1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES HALCYON LABS PRIVATE LIMITED (IN) 2020-08-20 US claimed
WO-2020007770-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2020-01-09 WO claimed
CN-110359097-A The method that On-DNA aromatic compound is obtained by Suzuki coupling reaction in the building of DNA encoding compound library 上海药明康德新药开发有限公司 2019-10-22 CN claimed
CN-110331447-A The method of On-DNA aryl acetylene hydrocarbon compound is prepared in the building of DNA encoding compound library 上海药明康德新药开发有限公司 2019-10-15 CN claimed
CN-109661399-A Cross-coupling methods 芝诺罗耶尔蒂里程碑有限责任公司 2019-04-19 CN claimed
US-20260040813-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2026-02-05 US disclosed
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-12528819-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2026-01-20 US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2008009691-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 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 (6 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-20210070778-A1 NOVEL PROCESS FOR THE PREPARATION OF CRISABOROLE AND ITS INTERMEDIATES UGT2B17, SQLE, CYP11B1 ABCB1 131/4885HTR1A 2773/4885DRD2 4384/4885
US-20260040813-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, MSRB3, GSR ABCB1 3785/4885HTR1A 3145/4885DRD2 205/4885
US-20240182496-A1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES TALDO1, TFPI, SQLE ABCB1 169/4885HTR1A 4558/4885DRD2 4627/4885
US-12528819-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GABRA5, GRM5, GABRE ABCB1 1073/4885HTR1A 251/4885DRD2 229/4885
US-20200262848-A1 NOVEL PROCESS FOR THE PREPARATION TAVABOROLE AND ITS INTERMEDIATES TALDO1, TFPI, SQLE ABCB1 169/4885HTR1A 4558/4885DRD2 4627/4885
US-11014944-B2 Process for the preparation of crisaborole and its intermediates UGT2B17, SQLE, UGT2B7 ABCB1 178/4885HTR1A 3040/4885DRD2 4467/4885

“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.