SCHEMBL4947296

SCHEMBL4947296

CCCCCCC#Cc1ccccc1/C=C/C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL29941829 1.00 CYP3A4 (0.54) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL4947304 1.00 CYP3A4 (0.54) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10978168 1.00 CYP3A4 (0.54) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10980153 1.00 CYP3A4 (0.54) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL14299984 0.88 CYP3A4 (0.52) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10739385 0.86 CYP3A4 (0.51) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10739390 0.86 CYP3A4 (0.51) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10666959 0.83 FFAR1 (0.40) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL10666954 0.83 FFAR1 (0.40) CYP3A4TSHRKDM4EMAPTHSD17B10
SCHEMBL8698375 0.82 CA1 (0.47) CYP3A4KDM4EMAPTALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666883-A1 Diagnostic and monitoring methods for bone loss F. Hoffmann-La Roche AG (CH) 2006-06-07 EP claimed
EP-1634618-B1 Method for identifying compounds that increase bone mineral density HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
EP-1666883-A1 Diagnostic and monitoring methods for bone loss F. Hoffmann-La Roche AG (CH) 2006-06-07 EP disclosed
US-20060079488-A1 Methods of treating and preventing bone loss ALLARD JOHN D 2006-04-13 US disclosed
EP-1634618-A1 Method for identifying compounds that increase bone mineral density F. Hoffmann-La Roche AG (CH) 2006-03-15 EP disclosed
US-20030175680-A1 Methods of treating and preventing bone loss NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-18 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-20060079488-A1 Methods of treating and preventing bone loss ALOX5, SOST, ALOX15B CYP3A4 4217/4885TSHR 3339/4885KDM4E 1432/4885
US-20030175680-A1 Methods of treating and preventing bone loss ALOX5, SOST, ALOX15B CYP3A4 4217/4885TSHR 3339/4885KDM4E 1432/4885

“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.