SCHEMBL22590657

SCHEMBL22590657

CCCCc1c(C(C)(C)C)sc(C(C)(C)C)c1CCCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TYMP P19971 1/20 0.31

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
SCHEMBL20017064 0.76 KCNH2 (0.43) ALDH1A1
SCHEMBL24198949 0.76 GCGR (0.32) ALDH1A1
SCHEMBL14418806 0.74
SCHEMBL13384633 0.73 KMT2A (0.44) NPSR1ALDH1A1
SCHEMBL4633204 0.69 NPC1 (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL21419520 0.69 HTT (0.39) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL21959175 0.67 TYR (0.34)
SCHEMBL22213081 0.67
SCHEMBL21131900 0.66 GPR35 (0.31)
SCHEMBL4824479 0.65 HTT (0.37) NPC1HPGDMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-27 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-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof DDT, TST, DIMT1 NPC1 4777/4885HPGD 2316/4885MAPK1 2946/4885

“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.