SCHEMBL6724547

SCHEMBL6724547

CC(CC(=O)c1ccccc1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPK1 P28482 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.46

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
Trimethylammonium SCHEMBL27818073 0.82 TSHR (0.57) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11271367 0.81 TSHR (0.55) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL9799560 0.79 TSHR (0.63) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL2026026 0.79 TSHR (0.63) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27999815 0.79 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11228427 0.79 TSHR (0.49) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL27627130 0.78 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL16165882 0.78 TSHR (0.52) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL9763714 0.78 TSHR (0.52) TSHRALDH1A1L3MBTL1MAPTHPGD
SCHEMBL2949251 0.78 TSHR (0.61) TSHRALDH1A1L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787000-B M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2011-08-03 — — CN disclosed
CN-101787000-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK 2010-07-28 — — CN disclosed
CN-1774428-B M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK 2010-06-16 — — CN disclosed
CN-1774428-A M-phase kinesin inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-05-17 — — CN disclosed
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2004-12-30 — — US disclosed
EP-1425002-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENTS IN THE TREATMENT OF CANCER Ramot at Tel Aviv University Ltd. (IL) 2004-06-09 — — EP disclosed
US-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer RAMOT AT TEL AVIV UNIVERSITY LTD. 2004-03-18 — — US disclosed
US-6630454-B2 Method and pharmaceutical composition for the treatment of cancer RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2003-10-07 — — US disclosed
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. 2003-05-08 — — US disclosed
WO-2003022258-A1 ARYLOXYPROPYLAMINES AS CHEMOSENSITIZING AGENT IN THE TREATMENT OF CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-03-20 — — WO disclosed
EP-0473698-B1 METHOD OF PREPARING D-PROPOXYPHENE MALLINCKRODT INC (US) 1994-07-13 — — EP disclosed
US-5312970-A Method of preparing D-propoxyphene MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1994-05-17 — — US disclosed
US-4661625-A Synthesis and purification of d-propoxyphene hydrochloride MALLINCKKODT, INC. (US) 1987-04-28 — — US disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 — — US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 — — US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 — — US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 — — 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 (3 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-20040054014-A1 Method and pharmaceutical compositions forthe treatment of cancer ABCC1, ABCB1, SLC11A2 TSHR 3929/4885ALDH1A1 290/4885L3MBTL1 4174/4885
US-20030087964-A1 Method and pharmaceutical composition for the treatment of cancer PNMT, ABCC1, HNMT TSHR 4216/4885ALDH1A1 530/4885L3MBTL1 4527/4885
US-20040266882-A1 Aryloxypropylamines as chemosensitizing agents in the treatment of cancer ABCC1, PNMT, ABCB1 TSHR 3606/4885ALDH1A1 133/4885L3MBTL1 3220/4885

“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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