SCHEMBL6000497

SCHEMBL6000497

CCC(CC)c1ccc2c(c1)nc(-c1csc(COc3ccc(C(=O)O)cc3)n1)n2Cc1ccc(C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALOX5AP P20292 4/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
RHEB Q15382 1/20 0.40
VDR P11473 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PPARG P37231 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL5999795 0.94 RXRA (0.43) RXRARXRBALOX5APMAPTTP53
SCHEMBL6001137 0.94 MAPT (0.40) RXRARXRBALOX5APMAPTRHEB
SCHEMBL6000770 0.92 MAPT (0.46) ALOX5APMAPTTP53ALOX5SMN1; SMN2
SCHEMBL6000446 0.88 VDR (0.40) RXRARXRBALOX5APMAPTRHEB
SCHEMBL6000191 0.83 PTGER4 (0.43) VDRNR1H4ALOX5
SCHEMBL6000599 0.81 PTPN2 (0.37) ALOX5APMAPTVDRNR1H4ALOX5
SCHEMBL6000167 0.70 PTPN1 (0.49) RXRARXRBMAPTALOX5SMN1; SMN2
SCHEMBL6000496 0.69 PTPN2 (0.43) RXRARXRBMAPTNR1H4ALOX5
SCHEMBL6000946 0.69 PTPN2 (0.61) RXRARXRBALOX5SMN1; SMN2NPC1
SCHEMBL6000642 0.69 PTPN2 (0.61) RXRARXRBALOX5SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 RXRA 867/4885RXRB 404/4885ALOX5AP 2199/4885

“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.