SCHEMBL14849676

SCHEMBL14849676

CC#Cc1ccc(-c2ccc(-c3ccnc(-c4cc(-c5ccc(-c6ccc(C#CC)s6)cc5)ccn4)c3)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ MAP4K4 O95819 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ APP P05067 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ WNT3A P56704 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
SCHEMBL25861680 0.78 DPP4 (0.35) HSD17B1HSD17B2PGRCCR1CCR5
SCHEMBL18678735 0.74 IDO1 (0.33) HSD17B1HSD17B2PGR
SCHEMBL23665398 0.74 APP (0.39) HSD17B1HSD17B2PGRAPP
SCHEMBL13514033 0.73 KDM4E (0.60) CCR1CCR5CCR8
SCHEMBL14849727 0.73 APP (0.38) PGRAPP
SCHEMBL12107482 0.72 HSD17B1 (0.39) HSD17B1HSD17B2MAP4K4WNT3A
SCHEMBL16680160 0.72 CYP1A2 (0.45) HSD17B1HSD17B2APP
SCHEMBL14849671 0.72 ASIC3 (0.35) CCR1CCR5CCR8
SCHEMBL15957855 0.71 DPP4 (0.38) —
SCHEMBL25532469 0.69 HSD17B1 (0.45) HSD17B1HSD17B2PGRCCR1CCR5

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 HSD17B1 2426/4885HSD17B2 3125/4885CDK5 3990/4885

“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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