SCHEMBL6498933

SCHEMBL6498933

Cc1sc2ccccc2c1C1=C(c2c(C)sc3cc(C=O)ccc23)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.37
▸ KIF11 P52732 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL17214365 0.94 CYP2A6 (0.30) —
SCHEMBL6857097 0.88 PLA2G10 (0.33) PLA2G10ALDH1A1MAPTHPGDRAB9A
SCHEMBL17212279 0.85 ALDH1A1 (0.37) ALDH1A1MAPTHPGD
SCHEMBL392860 0.84 GPR3 (0.39) PLA2G10ALDH1A1MAPTHPGDRAB9A
SCHEMBL29492999 0.84 GPR3 (0.39) PLA2G10ALDH1A1MAPTHPGDRAB9A
SCHEMBL7643452 0.80 PLA2G10 (0.39) PLA2G10ALDH1A1MAPTHPGDRAB9A
SCHEMBL6487227 0.80 PLA2G10 (0.39) PLA2G10KIF11ALDH1A1MAPTHPGD
SCHEMBL6850965 0.80 MAOB (0.34) PLA2G10
SCHEMBL19361388 0.76 BCL2L1 (0.36) MAPTRAB9A
SCHEMBL6232782 0.76 LIMK1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846934-B2 Photochromic diarylethene substituted with isoxazole group KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-01-25 — — US disclosed
US-6787621-B2 USING DIARYLETHENE MONOMERS FOR MAKING PHOTOCHROMIC POLYMERIZABLE THIN FILM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-09-07 — — US disclosed
US-20030130456-A1 Vinyl group-containing diarylethene and polymer thereof having excellent optical properties KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 2003-07-10 — — US disclosed
US-20030118924-A1 Diarylethene derivatives and photochromic thin film prepared using the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 2003-06-26 — — US disclosed
US-20020188043-A1 Photochromic diarylethene substituted with isoxazole group KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-12-12 — — 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 (2 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-20030118924-A1 Diarylethene derivatives and photochromic thin film prepared using the same DIAPH1, CRY1, CRY2 PLA2G10 1376/4885KIF11 521/4885ALDH1A1 3504/4885
US-20020188043-A1 Photochromic diarylethene substituted with isoxazole group CRY1, NR2E3, DDT PLA2G10 3992/4885KIF11 2021/4885ALDH1A1 2054/4885

“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.

Send feedback