SCHEMBL18674790

SCHEMBL18674790

Cc1ccc(-c2cc(-c3cc(C(F)(F)F)n[nH]3)nc(-c3cc(C(F)(F)F)n[nH]3)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ COMT P21964 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ ERN1 O75460 1/20 0.30
▸ ILK Q13418 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
SCHEMBL18678745 0.87 IDO1 (0.37) PGRPTGS2NPC1ALDH1A1MAPT
SCHEMBL19679996 0.84 GRIN2B (0.34) PGRPTGS2SYKHTR1DHTR1B
SCHEMBL18674843 0.79 TLR8 (0.31) PTGS2
SCHEMBL12958422 0.78 MGAT2 (0.30) —
SCHEMBL18678755 0.74 SYK (0.34) SYK
SCHEMBL863740 0.73 NOTUM (0.36) HSD17B10POLB
SCHEMBL18678650 0.73 SYK (0.33) SYK
SCHEMBL18678652 0.73 IDO1 (0.34) SYK
SCHEMBL18678749 0.73 PDGFRB (0.39) SYK
SCHEMBL12958420 0.71 IDH1 (0.33) PTGS2HSD17B10

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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 — — US disclosed
US-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-03-30 — — 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-20170092435-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF CRY2, CACNA1S, CACNA1E PGR 3422/4885PTGS2 3275/4885NPC1 3174/4885

“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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