SCHEMBL4953445

SCHEMBL4953445

Cc1cc(C)c(C(O)=S)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TPMT P51580 1/20 0.35
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL29180110 0.80 RAPGEF4 (0.46) TAS1R3TAS1R1TAS1R2RAPGEF4KDM4E
SCHEMBL13756307 0.78 RAPGEF4 (0.38) TAS1R3TAS1R1TAS1R2RAPGEF4KDM4E
SCHEMBL28949673 0.77 POLB (0.44) ALDH1A1LMNATDP1HPGD
SCHEMBL6894373 0.76 ALDH1A1 (0.46) RAPGEF4KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2848308 0.73 RAPGEF4 (0.43) TAS1R3TAS1R1TAS1R2RAPGEF4KDM4E
SCHEMBL21870 0.72 KDM4E (0.55) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL377596 0.72 KDM4E (0.55) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL12726829 0.72 KMT2A (0.41) RAPGEF4KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL918994 0.71 RAPGEF4 (0.41) TAS1R3TAS1R1TAS1R2RAPGEF4KDM4E
SCHEMBL2722808 0.71 RAPGEF4 (0.41) TAS1R3TAS1R1TAS1R2RAPGEF4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323561-B2 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-29 US disclosed
US-20060142562-A1 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-29 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 (1 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-20060142562-A1 Metal complexation of 1-acyldipyrromethanes and porphyrins formed therefrom AP1M1, AP3M1, DDT TAS1R3 3909/4885TAS1R1 3915/4885TAS1R2 4050/4885

“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.