SCHEMBL18775610

SCHEMBL18775610

CCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(-c5ccc(C)s5)s4)ccn3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HSD17B1 P14061 2/20 0.34
▸ HSD17B2 P37059 2/20 0.34
▸ PGR P06401 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SREBF1 P36956 1/20 0.32
▸ SREBF2 Q12772 1/20 0.32
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL18775604 0.87 JMJD6 (0.43) ALDH1A1MEN1MPIKMT2ACDC7
SCHEMBL18775209 0.82 HSD17B1 (0.34) NOS3NOS1NOS2HSD17B1HSD17B2
SCHEMBL25532469 0.80 HSD17B1 (0.45) ALDH1A1NPC1MAPTGFERHSD17B10
SCHEMBL18775608 0.80 — —
SCHEMBL18775203 0.79 HSD17B1 (0.35) NOS3NOS1NOS2HSD17B1HSD17B2
SCHEMBL199271 0.78 NOS3 (0.53) NOS3NOS1NOS2NPC1PIM1
SCHEMBL18785525 0.78 JMJD6 (0.51) ALDH1A1MEN1MPIKMT2ACDC7
SCHEMBL18775218 0.76 KDM2B (0.33) NOS3NOS1NOS2HSD17B1HSD17B2
SCHEMBL18775551 0.76 CBFB (0.39) ALDH1A1NPC1MAPTGFERHSD17B10
SCHEMBL18775612 0.76 — —

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-20170117099-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-04-27 — — 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-20170117099-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF LEF1, MLLT3, CRY1 NOS3 3106/4885NOS1 1790/4885NOS2 3534/4885

“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.

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