SCHEMBL14849678

SCHEMBL14849678

CC#Cc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(C#CC)s4)ccn3)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 11/20 0.37
▸ HDAC1 Q13547 7/20 0.34
▸ HDAC6 Q9UBN7 6/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ HDAC2 Q92769 3/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30

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
SCHEMBL21524056 0.87 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL16342028 0.86 KDM1A (0.37) KDM1AHDAC1HDAC6CCR1CCR5
SCHEMBL14849730 0.84 HDAC1 (0.32) KDM1AHDAC1HDAC6HDAC2HDAC8
SCHEMBL23665601 0.79 DPP4 (0.33) PTGS1PTGS2TUBB4ATUBBTUBA3C
SCHEMBL16510183 0.74 KDM1A (0.44) KDM1AHDAC1HDAC6CCR1CCR5
SCHEMBL23665548 0.72 PTGS1 (0.45) PTGS1PTGS2
SCHEMBL15907867 0.71 DPP4 (0.30) —
SCHEMBL14849671 0.71 ASIC3 (0.35) CCR1CCR5CCR8
SCHEMBL12669533 0.70 KDM4E (0.44) KDM1AHDAC1HDAC6HDAC2HDAC8
SCHEMBL18674797 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574463-B2 Metal complex dye, photoelectric conversion element and dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2013-11-05 — — US disclosed
US-20130087203-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2013-04-11 — — 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-20130087203-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL L1CAM, LSG1, CRY1 KDM1A 1371/4885HDAC1 2297/4885HDAC6 4878/4885

“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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