SCHEMBL1684009

SCHEMBL1684009

O=C(c1ccccc1)C1COC(c2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1683871 0.86 CES2 (0.44) ALDH1A1MEN1HPGDKMT2ATSHR
SCHEMBL21597984 0.85 TSHR (0.41) ALDH1A1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL1683898 0.83 NPC1 (0.45) ALDH1A1PARP1MEN1HPGDKMT2A
SCHEMBL1683663 0.81 CES2 (0.39) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL3478245 0.81 TSHR (0.37) EPHX1ALDH1A1PARP1MEN1CYP2C19
SCHEMBL1683813 0.80 ALDH1A1 (0.44) ALDH1A1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL1683646 0.80 CA12 (0.44) ALDH1A1MEN1CYP1A2CYP2C9HPGD
SCHEMBL18058633 0.79 TSHR (0.36) EPHX1ALDH1A1PARP1MEN1KMT2A
SCHEMBL1683621 0.78 PIN1 (0.42) ALDH1A1CYP2C9CYP2C19KMT2AL3MBTL1
SCHEMBL13446994 0.69 ALDH1A1 (0.49) EPHX1ALDH1A1PARP1MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 — — US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 — — US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 — — US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 — — US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 — — EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 — — EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 — — US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 — — US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 — — US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 — — EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 — — WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 — — 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY EPHX1 243/4885ALDH1A1 606/4885PARP1 736/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EPHX1 1298/4885ALDH1A1 619/4885PARP1 1721/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EPHX1 1298/4885ALDH1A1 619/4885PARP1 1721/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EPHX1 1298/4885ALDH1A1 619/4885PARP1 1721/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EPHX1 1298/4885ALDH1A1 619/4885PARP1 1721/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EPHX1 1298/4885ALDH1A1 619/4885PARP1 1721/4885

“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.

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