SCHEMBL13670523

SCHEMBL13670523

CCCCCC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RIPK1 Q13546 1/20 0.46
CYP17A1 P05093 1/20 0.46
ASAH1 Q13510 1/20 0.45
CSNK1E P49674 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR1A P08908 2/20 0.43
PTGS2 P35354 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL27532713 0.89 LMNA (0.52) LMNARIPK1CYP17A1NPC1RAB9A
SCHEMBL317208 0.88 LMNA (0.61) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL28218362 0.88 LMNA (0.61) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL477567 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL477511 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL7120698 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL8193119 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL22491606 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL477546 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1
SCHEMBL30975296 0.86 LMNA (0.59) LMNAKDM4EALDH1A1RIPK1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311503-A Method for preparing anti-HIV (human immunodeficiency virus) medicine ritonavir NORTHEAST PHARMACEUTICAL GROUP CO LTD 2015-01-28 CN claimed
CN-102786494-B The study on the synthesis of ritonavir isomer impurities and control method HEFEI HUAFANG PHARMACEUTICAL SCIENCES & TECHNOLOGY CO., LTD. (CN) 2016-01-06 CN disclosed
CN-104311503-A Method for preparing anti-HIV (human immunodeficiency virus) medicine ritonavir NORTHEAST PHARMACEUTICAL GROUP CO LTD 2015-01-28 CN disclosed
CN-102898398-B Method for preparing type I ritonavir polymouphous crystals SHANGHAI DESANO PHARMACEUTICAL CO LTD 2015-01-14 CN disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 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 (2 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 LMNA 2618/4885KDM4E 773/4885ALDH1A1 1832/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 LMNA 4621/4885KDM4E 76/4885ALDH1A1 673/4885

“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.