SCHEMBL9973065

SCHEMBL9973065

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5OC)OC(c5ccccc5)(c5ccc(N6CCOCC6)cc5)C=C8)C(C)(C)c5c-7cc(C(F)(F)F)cc5C(F)(F)F)cc4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.35
BRAF P15056 3/20 0.35
MTTP P55157 2/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
BTK Q06187 3/20 0.33
MAPK14 Q16539 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ROCK1 Q13464 1/20 0.32
FGFR1 P11362 1/20 0.31
DDR2 Q16832 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL15214841 0.96 RAF1 (0.36) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL12553434 0.96 MAPT (0.33) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL9973017 0.95 RAF1 (0.34) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL12553439 0.92 RAF1 (0.34) RAF1BRAFMAPTSMN1; SMN2MEN1
SCHEMBL15214826 0.91 MAPK14 (0.34) RAF1BRAFMAPTSMN1; SMN2BTK
SCHEMBL12553429 0.91 BRAF (0.33) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL9973109 0.91 RAF1 (0.32) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL1962292 0.91 RAF1 (0.32) RAF1BRAFMTTPMAPTSMN1; SMN2
SCHEMBL12581522 0.91 MCHR1 (0.31) MTTP
SCHEMBL15214871 0.91 MTTP (0.32) MTTPMEN1KMT2AMAPK14

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
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 RAF1 3521/4885BRAF 2643/4885MTTP 2827/4885

“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.