SCHEMBL3204053

SCHEMBL3204053

Cc1cc(C)n(Cc2ccc(Cl)cc2Cl)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
VDR P11473 1/20 0.51
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
P2RX7 Q99572 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2A13 Q16696 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL3207335 0.82 HPGD (0.49) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL3207341 0.82 HPGD (0.49) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL3215499 0.78 VDR (0.49) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL6181231 0.78 VDR (0.52) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL6181220 0.76 VDR (0.50) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL11606697 0.74 KDM4E (0.64) HPGDNPSR1L3MBTL1LMNAPOLB
SCHEMBL11606389 0.73 NPSR1 (0.60) HPGDNPSR1L3MBTL1LMNASMN1; SMN2
SCHEMBL6180454 0.72 VDR (0.49) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL6181320 0.72 VDR (0.52) HPGDNPSR1L3MBTL1VDRLMNA
SCHEMBL6491398 0.70 VDR (0.49) HPGDNPSR1L3MBTL1VDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HPGD 1030/4885NPSR1 1882/4885L3MBTL1 2201/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 HPGD 811/4885NPSR1 1130/4885L3MBTL1 2043/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 HPGD 1030/4885NPSR1 1882/4885L3MBTL1 2201/4885

“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.