SCHEMBL15328802

SCHEMBL15328802

COc1ccccc1C(C)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
ACHE P22303 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL15328772 1.00 AGTR1 (0.50) AGTR1POLBHTTNPSR1L3MBTL1
SCHEMBL31539025 0.85 POLB (0.41) AGTR1POLBHTTNPSR1L3MBTL1
SCHEMBL10701017 0.84 CA1 (0.44) AGTR1POLBHTTNPSR1L3MBTL1
SCHEMBL20738479 0.83 POLB (0.44) AGTR1POLBHTTNPSR1L3MBTL1
SCHEMBL4758913 0.83 POLB (0.41) AGTR1POLBHTTNPSR1L3MBTL1
SCHEMBL3043989 0.82 TSHR (0.50) POLBLMNACYP1A2CA1CA2
SCHEMBL19355318 0.81 TSHR (0.57) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL19314294 0.81 TSHR (0.57) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL29657286 0.81 TSHR (0.57) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL6679628 0.81 TSHR (0.57) POLBHTTNPSR1L3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
WO-2021000242-A1 THIENOPYRIMIDINE DERIVATIVES HAVING STEREO CONFIGURATIONS AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-01-07 WO disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 EP disclosed
WO-2020230132-A1 COMPOSITIONS FOR CROP PROTECTION AGREMATCH LTD. (IL) 2020-11-19 WO disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 CN disclosed
US-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 US disclosed
EP-2841428-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2015-03-04 EP disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO disclosed
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 WO disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 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 (7 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-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK AGTR1 1971/4885POLB 13/4885HTT 904/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 AGTR1 618/4885POLB 2980/4885HTT 1689/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK AGTR1 1971/4885POLB 13/4885HTT 904/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK AGTR1 1971/4885POLB 13/4885HTT 904/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK AGTR1 1971/4885POLB 13/4885HTT 904/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK AGTR1 1971/4885POLB 13/4885HTT 904/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 AGTR1 591/4885POLB 2983/4885HTT 1760/4885

“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.