SCHEMBL167209

SCHEMBL167209

O=C(OCCN1CCCC1)OCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
BCHE P06276 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD1 P21728 1/20 0.45
HRH2 P25021 1/20 0.45

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
SCHEMBL165769 0.98 KMT2A (0.54) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL12014424 0.87 KMT2A (0.46) KMT2AMEN1
SCHEMBL12014419 0.86 KMT2A (0.49) KMT2AMEN1HPGD
SCHEMBL3294445 0.85 THRB (0.50) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL16829927 0.85 CYP2D6 (0.57) ALDH1A1POLBMAPTCYP1A2HRH3
SCHEMBL2254970 0.84 KMT2A (0.50) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL12014431 0.82 KMT2A (0.43) KMT2AMEN1HPGDBCHESIGMAR1
SCHEMBL165770 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL65995 0.82 SLC18A3 (0.53) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL11593239 0.82 SIGMAR1 (0.50) KMT2AMEN1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 WO claimed
US-10912784-B2 Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO., LTD. (CN) 2021-02-09 US claimed
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US claimed
EP-3453714-B1 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF SUZHOU NEUPHARMA CO LTD (CN) 2020-11-04 EP claimed
US-10766920-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-08 US claimed
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2020-03-19 US claimed
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-01-23 US claimed
US-10344048-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-07-09 US claimed
EP-3453714-A2 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF Suzhou Neupharma Co., Ltd (CN) 2019-03-13 EP claimed
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-03-30 US claimed
US-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US claimed
CN-102203112-B Certain compounds, compositions and methods SUZHOU NEUPHARMA CO LTD 2014-05-07 CN claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-08-02 US claimed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO claimed
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 WO disclosed
US-20240115585-A1 METHODS OF TREATING CANCER NEUPHARMA, INC. 2024-04-11 US disclosed
EP-2523966-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Suzhou Neupharma Co., Ltd (CN) 2012-11-21 EP disclosed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO disclosed
US-20110201584-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2011-08-18 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 (10 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-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885
US-10912784-B2 Certain chemical entities, compositions, and methods UGT2B7, BCCIP, ABCG2 KMT2A 3692/4885MEN1 281/4885ALDH1A1 422/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885
US-20240115585-A1 METHODS OF TREATING CANCER TP53, DDX21, BRCA1 KMT2A 2026/4885MEN1 957/4885ALDH1A1 280/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 KMT2A 3692/4885MEN1 281/4885ALDH1A1 422/4885
US-20110201584-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 KMT2A 3692/4885MEN1 281/4885ALDH1A1 422/4885
US-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 KMT2A 2329/4885MEN1 22/4885ALDH1A1 290/4885

“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.