SCHEMBL1683718

SCHEMBL1683718

COc1ccc(C2NC(C(=O)c3cc(OC)c(OC)c(OC)c3)CO2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ TUBB4A P04350 4/20 0.42
▸ TUBB P07437 4/20 0.42
▸ TUBA3C P0DPH7 4/20 0.42
▸ TUBA1B P68363 4/20 0.42
▸ TUBA4A P68366 4/20 0.42
▸ TUBB4B P68371 4/20 0.42
▸ TUBB3 Q13509 4/20 0.42
▸ TUBB2A Q13885 4/20 0.42
▸ TUBB8 Q3ZCM7 4/20 0.42
▸ TUBA3E Q6PEY2 4/20 0.42
▸ TUBA1A Q71U36 4/20 0.42
▸ TUBA1C Q9BQE3 4/20 0.42
▸ TUBB6 Q9BUF5 4/20 0.42
▸ TUBB2B Q9BVA1 4/20 0.42
▸ TUBB1 Q9H4B7 4/20 0.42
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL1683760 0.88 LMNA (0.45) ACHEMAPK3MAPK1ALDH1A1TUBB4A
SCHEMBL1683913 0.87 SMN1; SMN2 (0.42) ACHEMAPK3MAPK1ALDH1A1TUBB4A
SCHEMBL1683809 0.87 SMN1; SMN2 (0.41) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4428532 0.87 CA1 (0.41) ACHEMAPK3MAPK1TUBB4ATUBB
SCHEMBL1683968 0.87 ABCB1 (0.45) ACHEMAPK3MAPK1TUBB4ATUBB
SCHEMBL1683813 0.87 ALDH1A1 (0.44) ACHEALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL1683902 0.86 SMN1; SMN2 (0.47) ACHEMAPK3MAPK1ALDH1A1TUBB4A
SCHEMBL15902695 0.86 L3MBTL1 (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1683841 0.85 HTT (0.39) ACHEMAPK3MAPK1TUBB1SMN1; SMN2
SCHEMBL4416076 0.85 TUBB4A (0.47) ACHEMAPK3MAPK1ALDH1A1TUBB4A

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 ACHE 2533/4885MAPK3 4136/4885MAPK1 4001/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885MAPK3 2867/4885MAPK1 3988/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ACHE 3649/4885MAPK3 2867/4885MAPK1 3988/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885MAPK3 2867/4885MAPK1 3988/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885MAPK3 2867/4885MAPK1 3988/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ACHE 3649/4885MAPK3 2867/4885MAPK1 3988/4885

“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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