SCHEMBL6448765

SCHEMBL6448765

c1ccc2[nH]c(CCCCC3CCCCC3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
IDO1 P14902 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCL1 Q07820 1/20 0.48
CHRNA7 P36544 1/20 0.47

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
SCHEMBL2948984 0.99 POLB (0.65) POLBLMNANPC1RAB9AIDO1
SCHEMBL6753966 0.96 POLB (0.64) POLBLMNANPC1RAB9AIDO1
SCHEMBL4110878 0.90 LMNA (0.64) POLBLMNANPC1RAB9AIDO1
SCHEMBL6757232 0.88 LMNA (0.62) POLBLMNANPC1RAB9AIDO1
SCHEMBL5792173 0.83 POLB (0.62) POLBLMNANPC1RAB9AIDO1
SCHEMBL6759257 0.82 IDO1 (0.68) POLBLMNANPC1RAB9AIDO1
SCHEMBL7006523 0.82 POLB (1.00) POLBNPC1RAB9A
SCHEMBL4111972 0.81 IDO1 (0.70) POLBLMNANPC1RAB9AIDO1
SCHEMBL7854826 0.80 POLB (0.96) POLBNPC1RAB9AKDM4E
SCHEMBL7856315 0.80 POLB (0.96) POLBNPC1RAB9AKDM4E

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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
EP-0791671-B1 Surface treating agent for copper or copper alloy SHIKOKU CHEM (JP) 1999-06-16 EP disclosed
US-5795409-A MIXTURE OF A (BENZ)IMIDAZOLE COMPOUND, CHELATE COMPOUND AND IRON SHIKOKU CHEMICALS CORPORATION (JP) 1998-08-18 US disclosed
EP-0791671-A1 Surface treating agent for copper or copper alloy SHIKOKU CHEMICALS CORPORATION (JP) 1997-08-27 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA POLB 3623/4885LMNA 3776/4885NPC1 1506/4885

“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.