SCHEMBL10156921

SCHEMBL10156921

CC(C)(C)CC(=O)OCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ GLA P06280 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
SCHEMBL24177719 0.84 ALDH1A1 (0.52) ALDH1A1ATMSMN1; SMN2EPHX2L3MBTL1
SCHEMBL6898986 0.83 PSMB1 (0.45) KMT2AMEN1KDM4EHPGD
SCHEMBL4184236 0.81 ALDH1A1 (0.56) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL20305268 0.81 ALDH1A1 (0.59) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL2734500 0.80 ATM (0.50) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL24157410 0.80 ALDH1A1 (0.50) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL9281457 0.80 ALDH1A1 (0.57) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL501897 0.79 ALDH1A1 (0.58) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL10989633 0.79 ALDH1A1 (0.54) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL146725 0.79 ALDH1A1 (0.54) ALDH1A1ATMSMN1; SMN2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 — — US disclosed
US-20130267497-A1 KINASE INHIBITORS ALLERGAN INC (US) 2013-10-10 — — US disclosed
US-8455656-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 — — US disclosed
US-8350027-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 — — US disclosed
US-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 — — US disclosed
US-20120238558-A9 Kinase inhibitors ALLERGAN, INC. 2012-09-20 — — US disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 — — US disclosed
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 — — US disclosed
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 — — US disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 — — US disclosed
US-20090286773-A1 Kinase inhibitors ALLERGAN, INC. 2009-11-19 — — 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-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 2422/4885ATM 4493/4885SMN1; SMN2 4456/4885
US-20130267497-A1 KINASE INHIBITORS PTK2, MAP3K6, MAP3K20 ALDH1A1 2605/4885ATM 753/4885SMN1; SMN2 4781/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 2422/4885ATM 4493/4885SMN1; SMN2 4456/4885
US-20090286773-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ALDH1A1 2605/4885ATM 753/4885SMN1; SMN2 4781/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B ALDH1A1 3735/4885ATM 562/4885SMN1; SMN2 4718/4885
US-20120238558-A9 Kinase inhibitors PTK2, MAP3K6, MAP3K20 ALDH1A1 2605/4885ATM 753/4885SMN1; SMN2 4781/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALDH1A1 2397/4885ATM 4412/4885SMN1; SMN2 4490/4885

“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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