SCHEMBL3522883

SCHEMBL3522883

OCCNCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CXCR4 P61073 2/20 0.39
RECQL P46063 1/20 0.35

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
SCHEMBL16078966 0.98 HSD17B10 (0.52) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL9064233 0.91 ACE2 (0.60) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL845511 0.89 HSD17B10 (0.57) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL8305374 0.88 HSD17B10 (0.50) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL8306633 0.88 HSD17B10 (0.46) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL29860764 0.87 HSD17B10 (0.55) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL16676988 0.85 HSD17B10 (0.55) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL21922782 0.84 ACE2 (0.58) HSD17B10ANPEPERAP2ALDH1A1ALOX15
SCHEMBL17785970 0.83 ACE2 (0.50) HSD17B10ANPEPERAP2CYP3A4CYP2D6
SCHEMBL6051874 0.83 ACE2 (0.52) HSD17B10ANPEPERAP2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891943-B Method for producing mixtures of linear and non-linear ethyleneamines 诺力昂化学品国际有限公司 2023-09-22 CN claimed
CN-110891943-A Process for preparing mixtures of linear and nonlinear ethyleneamines 诺力昂化学品国际有限公司 2020-03-17 CN claimed
CN-110891943-B Method for producing mixtures of linear and non-linear ethyleneamines 诺力昂化学品国际有限公司 2023-09-22 CN disclosed
CN-110997659-B Process for preparing propylene amine and propylene amine derivatives 诺力昂化学品国际有限公司 2023-09-12 CN disclosed
CN-110831922-B Method for producing chain-extended hydroxyethylethyleneamines, ethyleneamines or mixtures thereof 诺力昂化学品国际有限公司 2022-12-23 CN disclosed
EP-3596039-B1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INT BV (NL) 2021-05-05 EP disclosed
US-10995077-B2 Process to prepare higher ethylene amines and ethylene amine derivatives NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2021-05-04 US disclosed
US-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-04-30 US disclosed
CN-110997659-A Process for preparing propyleneamine and propyleneamine derivatives 诺力昂化学品国际有限公司 2020-04-10 CN disclosed
CN-110891943-A Process for preparing mixtures of linear and nonlinear ethyleneamines 诺力昂化学品国际有限公司 2020-03-17 CN disclosed
US-20190047971-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2019-02-14 US disclosed
WO-2017137530-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2017-08-17 WO disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
US-7659279-B2 2-{(2S)-2-[({4-[3-Chloro-4-fluoroanilino]-7-methoxyquinazolin-5-yl}oxy)methyl]pyrrolidin-1-yl}-2-oxoethanol; epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; breast, colorectal and head and neck cancer ASTRAZENECA AB (SE) 2010-02-09 US disclosed
EP-1622620-B1 QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-02-20 EP disclosed
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer ASTRAZENECA AB (SE) 2006-09-21 US disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-4946612-A Lubricating oil composition for sliding surface and for metallic working and method for lubrication of machine tools using said composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-07 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-10995077-B2 Process to prepare higher ethylene amines and ethylene amine derivatives H1-5, H1-4, PNMT HSD17B10 4085/4885ANPEP 407/4885ERAP2 673/4885
US-20190047971-A1 PROCESS TO PREPARE HIGHER ETHYLENE AMINES AND ETHYLENE AMINE DERIVATIVES H1-5, H1-4, PNMT HSD17B10 4085/4885ANPEP 407/4885ERAP2 673/4885
US-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF HNMT, PNMT, HRH2 HSD17B10 1858/4885ANPEP 512/4885ERAP2 580/4885
US-20060211714-A1 Quinazoline derivatives and their use in the treatment of cancer EGFR, ERBB2, ERBB4 HSD17B10 4735/4885ANPEP 1580/4885ERAP2 2703/4885

“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.