SCHEMBL166860

SCHEMBL166860

O=C(OCCN1CCOCC1)OCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.52
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BCHE P06276 1/20 0.49
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
PRCP P42785 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20123359 0.91 ATM (0.50) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL15142912 0.91 TSHR (0.51) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL65273 0.89 TDP1 (0.55) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL16666715 0.89 ATM (0.51) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL63719 0.89 TDP1 (0.54) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL21975629 0.88 ATM (0.46) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL15148099 0.87 ALDH1A1 (0.56) ATMALDH1A1KMT2ALMNAGAA
SCHEMBL21259176 0.87 ATM (0.47) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL166861 0.86 ALDH1A1 (0.56) ATMALDH1A1KMT2ALMNAGLA
SCHEMBL3830833 0.85 ATM (0.48) ATMALDH1A1KMT2ALMNAGLA

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 61 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-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US claimed
EP-4134134-A1 STING AGONISTIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2023-02-15 EP 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-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 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
WO-2011085641-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS SUZHOU NEUPHARMA CO., LTD. (CN) 2011-07-21 WO disclosed
EP-0476784-A1 Processes for the preparation of ethers UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-03-25 EP 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 (9 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 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885
US-10912784-B2 Certain chemical entities, compositions, and methods UGT2B7, BCCIP, ABCG2 ATM 2316/4885ALDH1A1 422/4885KMT2A 3692/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885
US-20200085846-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS UGT2B7, BCCIP, ABCG2 ATM 2316/4885ALDH1A1 422/4885KMT2A 3692/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 ATM 777/4885ALDH1A1 3607/4885KMT2A 3529/4885
US-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 ATM 2168/4885ALDH1A1 290/4885KMT2A 2329/4885

“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.