SCHEMBL10116795

SCHEMBL10116795

CC1(C)c2cc(F)ccc2-c2c1c1c(c3cc(N4CCOCC4)ccc23)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.35
PIK3CD O00329 6/20 0.34
PIK3CB P42338 6/20 0.34
PIK3CG P48736 3/20 0.34
ALK Q9UM73 1/20 0.34
PDK2 Q15119 1/20 0.33
PRKDC P78527 1/20 0.33
SOS1 Q07889 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 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
SCHEMBL720959 0.98 PIK3CA (0.34) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL25603183 0.94 ALK (0.34) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL3155260 0.93 ALK (0.34) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL25603872 0.93 PIK3CA (0.33) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL25603166 0.92 PIK3CG (0.32) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL25715269 0.92 ALK (0.33) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL26628354 0.92 ALK (0.33) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL3150887 0.92 HSD11B1 (0.31) HSD11B1
SCHEMBL25603168 0.92 PLK4 (0.33) PIK3CAPIK3CDPIK3CBPIK3CGALK
SCHEMBL10116789 0.91 MEN1 (0.36) PIK3CAALKPRKDCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535577-B2 Photochromic materials that include 6-amino substituted indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2013-09-17 US disclosed
US-8535577-B2 Photochromic materials that include 6-amino substituted indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2013-09-17 US disclosed
US-8277699-B2 Photochromic materials that include 6-amino substituted indeno-fused naphthopyrans Transistions Optical, Inc. (US) 2012-10-02 US disclosed
US-8277699-B2 Photochromic materials that include 6-amino substituted indeno-fused naphthopyrans Transistions Optical, Inc. (US) 2012-10-02 US disclosed
US-20120214992-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-08-23 US disclosed
US-20120214992-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-08-23 US disclosed
US-20120053341-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-03-01 US disclosed
US-20120053341-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2012-03-01 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-20120214992-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS NPEPPS, MITF, NR2E3 PIK3CA 3552/4885PIK3CD 4095/4885PIK3CB 4014/4885
US-20120053341-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS MITF, NPEPPS, GNE PIK3CA 3646/4885PIK3CD 4179/4885PIK3CB 4102/4885

“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.