SCHEMBL3109742

SCHEMBL3109742

NC(=O)CCN(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
KMT2A Q03164 1/20 0.31
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL16638620 0.97 ALOX15 (0.41) ALOX15KDM4EMAPTSMN1; SMN2BLM
SCHEMBL16638646 0.97 ALOX15 (0.41) ALOX15KDM4EMAPTSMN1; SMN2BLM
SCHEMBL899927 0.89 TDP1 (0.37) ALOX15KDM4EBLMPMP22KMT2A
SCHEMBL3319762 0.86 CYP1A2 (0.44) ALOX15KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL808456 0.86 TDP1 (0.36) ALOX15KDM4EBLMPMP22KMT2A
SCHEMBL20998889 0.86 TDP1 (0.36) ALOX15KDM4EBLMPMP22KMT2A
Ammonia Solution, Strong SCHEMBL10870270 0.86 ALOX15 (0.35) ALOX15KDM4EBLMPMP22KMT2A
Hydrochloric Acid SCHEMBL9711107 0.86 ALOX15 (0.35) ALOX15KDM4EBLMPMP22KMT2A
SCHEMBL16638621 0.84 PAOX (0.31)
Trolamine SCHEMBL14990729 0.83 KDM4E (0.44) ALOX15KDM4EMAPTSMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074869-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2025-03-06 US claimed
EP-4245750-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-09-20 EP claimed
CN-112225673-B Amino combretastatin derivative and application thereof 义乌市华耀医药科技有限公司 2022-08-02 CN claimed
US-7803839-B2 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS, INC. (US) 2010-09-28 US claimed
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS INC. (US) 2009-06-18 US claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
US-20250074869-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2025-03-06 US disclosed
EP-4245750-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF YIWUHUAYAO PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-09-20 EP disclosed
CN-112225673-B Amino combretastatin derivative and application thereof 义乌市华耀医药科技有限公司 2022-08-02 CN disclosed
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges TPAT IP LLC 2020-03-05 US disclosed
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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 (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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 ALOX15 80/4885KDM4E 1625/4885MAPT 4552/4885
US-20250074869-A1 AMINO-COMBRETASTATIN DERIVATIVE AND USE THEREOF TUBB3, TUBB6, TUBA3C ALOX15 4292/4885KDM4E 4395/4885MAPT 24/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS ALOX15 985/4885KDM4E 913/4885MAPT 4202/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS ALOX15 2465/4885KDM4E 592/4885MAPT 3423/4885
US-20200071582-A1 Biological Buffers with Wide Buffering Ranges PEF1, SLC7A1, PLPBP ALOX15 3813/4885KDM4E 2858/4885MAPT 2799/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP ALOX15 3788/4885KDM4E 2827/4885MAPT 2834/4885

“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.