SCHEMBL1963455

SCHEMBL1963455

CCCCCC1CCC(C2CCC(C(=O)Nc3ccc(C(=O)Nc4ccc(B5OC(C)(C)C(C)(C)O5)c(C)c4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.41
KMT2A Q03164 4/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
GBA1 P04062 1/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CXCR2 P25025 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
LDLR P01130 1/20 0.36
ACKR3 P25106 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1963458 1.00 MAPK14 (0.41) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL1962070 0.87 MAPT (0.44) MAPK14KMT2ACA1CA2CA9
SCHEMBL1962066 0.87 MAPT (0.44) MAPK14KMT2ACA1CA2CA9
SCHEMBL12125155 0.85 MAPK14 (0.51) MAPK14KMT2ARAB9AMEN1NPC1
SCHEMBL1961233 0.84 ALDH1A1 (0.42) MAPK14CA1CA2CA9CXCR2
SCHEMBL1961254 0.84 ALDH1A1 (0.42) MAPK14CA1CA2CA9CXCR2
SCHEMBL1961256 0.84 ALDH1A1 (0.42) MAPK14CA1CA2CA9CXCR2
SCHEMBL31642533 0.80 NAMPT (0.46) KMT2ARAB9AMEN1NPC1NPSR1
SCHEMBL9936085 0.79 GBA1 (0.34) MAPK14KMT2AMEN1GBA1USP2
SCHEMBL9936081 0.79 GBA1 (0.34) MAPK14KMT2AMEN1GBA1USP2

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 4 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
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 MAPK14 2870/4885KMT2A 563/4885RAB9A 1829/4885

“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.