SCHEMBL9899419

SCHEMBL9899419

CCCCOc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5cc(OC)ccc5c3O2)-c2ccccc2C4(C)Cc2ccccc2OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.33
ADAM17 P78536 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PIK3CB P42338 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
JAK2 O60674 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
MAPK8 P45983 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9897534 0.89 MAPT (0.33) ADAM17MAPTKDM4ERAB9AMEN1
SCHEMBL9898614 0.86 ALDH1A1 (0.35) MAPTKDM4ENPC1RAB9ASTK10
SCHEMBL23604764 0.85 MAPT (0.35) ADAM17MAPTKDM4ERAB9AMEN1
SCHEMBL31337445 0.83 PTPN1 (0.34) MAPTKDM4ENPC1RAB9ACHEK1
SCHEMBL9898947 0.83 GAA (0.31) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL9898949 0.83 MRGPRX4 (0.33) ADAM17MAPTKDM4E
SCHEMBL9899105 0.83 RAB9A (0.35) ADAM17MAPTKDM4ENPC1RAB9A
SCHEMBL9898546 0.82 RECQL (0.31) MAPT
SCHEMBL15953434 0.82 ALDH1A1 (0.34) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL9897915 0.80

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-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 P2RY12 221/4885ADAM17 4543/4885MAPT 2224/4885

“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.