SCHEMBL1683646

SCHEMBL1683646

COc1ccc(C(=O)C2COC(c3ccccc3)N2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ TPMT P51580 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALOX12 P18054 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ TNFRSF1A P19438 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL1683813 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ECYP1A2CYP2C19TNFRSF1A
SCHEMBL1683871 0.84 CES2 (0.44) CA1CA2ALDH1A1KDM4ETSHR
SCHEMBL1683898 0.83 NPC1 (0.45) ALDH1A1KDM4ETSHRHPGDMEN1
SCHEMBL1683797 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL1683718 0.82 ACHE (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL1683621 0.81 PIN1 (0.42) ALDH1A1CYP2C9CYP2C19KMT2ANPC1
SCHEMBL1683913 0.81 SMN1; SMN2 (0.42) CA12CA1CA2CA4CA6
SCHEMBL1684009 0.80 EPHX1 (0.45) ALDH1A1CYP1A2CYP2C9TSHRCYP2C19
SCHEMBL1683902 0.78 SMN1; SMN2 (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL15902695 0.78 L3MBTL1 (0.44) ALDH1A1KDM4ECYP1A2MAPTHPGD

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 CA12 1487/4885CA1 2641/4885CA2 3124/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CA12 98/4885CA1 800/4885CA2 1383/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CA12 98/4885CA1 800/4885CA2 1383/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CA12 98/4885CA1 800/4885CA2 1383/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CA12 98/4885CA1 800/4885CA2 1383/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CA12 98/4885CA1 800/4885CA2 1383/4885

“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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