SCHEMBL9934163

SCHEMBL9934163

COc1cccc(-c2c(C(=O)O)c(C)c(OC(C)=O)c3cc(-c4ccccc4)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
DHODH Q02127 2/20 0.40
FFAR1 O14842 1/20 0.40
PTGER4 P35408 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FBP1 P09467 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FPR1 P21462 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL9627436 0.77 ABCB11 (0.52) BACE1MAPTTDP1LMNAGAA
SCHEMBL9934162 0.74 NR4A2 (0.46) MAPTTDP1FFAR1TRPV1FPR1
SCHEMBL9642256 0.74 ABCB11 (0.61) BACE1MAPTTDP1LMNAGAA
SCHEMBL8469479 0.72 LMNA (0.65) BACE1MAPTTDP1LMNAGAA
SCHEMBL9898347 0.71 DHODH (0.50) BACE1LMNAGAADHODHKDM4E
SCHEMBL26009136 0.70 LMNA (0.59) BACE1MAPTTDP1LMNAGAA
Acetic Acid SCHEMBL28960935 0.70 HDAC4 (0.61) LMNAFFAR1TRPV1
SCHEMBL9642501 0.69 PDE4A (0.53) BACE1MAPTTDP1LMNAGAA
SCHEMBL8469858 0.69 LMNA (0.60) BACE1MAPTTDP1LMNAGAA
SCHEMBL5849176 0.69 RXRA (0.56) FBP1TRPV1

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-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
EP-2651914-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 BACE1 3160/4885MAPT 562/4885TDP1 892/4885

“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.