SCHEMBL13670692

SCHEMBL13670692

C=CCCCC(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HTR7 P34969 1/20 0.56
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL10653314 0.95 NPC1 (0.69) RAB9ANPC1HTR7SMN1; SMN2PTPN1
SCHEMBL4453533 0.85 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2PTPN1ALDH1A1
SCHEMBL1833485 0.84 NPC1 (0.62) RAB9ANPC1HTR7SMN1; SMN2PTPN1
SCHEMBL4446051 0.84 HDAC1 (0.59) RAB9ANPC1SIGMAR1SMN1; SMN2LMNA
SCHEMBL11830547 0.82 NPC1 (0.65) RAB9ANPC1HTR7SMN1; SMN2PTPN1
SCHEMBL4455713 0.81 L3MBTL1 (0.51) RAB9ANPC1HTR7SMN1; SMN2TSHR
SCHEMBL14754450 0.80 NPC1 (0.71) RAB9ANPC1HTR7SMN1; SMN2PTPN1
SCHEMBL9161621 0.79 HDAC8 (0.61) RAB9ASMN1; SMN2PTPN1L3MBTL1LMNA
SCHEMBL9680520 0.78 NPC1 (0.91) RAB9ANPC1HTR7SMN1; SMN2PTPN1
SCHEMBL13670559 0.78 NPC1 (0.69) RAB9ANPC1HTR7BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2574/4885NPC1 1326/4885HTR7 3076/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 RAB9A 882/4885NPC1 1550/4885HTR7 4806/4885

“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.