SCHEMBL4101740

SCHEMBL4101740

COCOc1cc(OC)cc(C)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
LMNA P02545 1/20 0.41
BACE1 P56817 3/20 0.39
ALDH1A1 P00352 2/20 0.38
NQO2 P16083 2/20 0.36
CYP19A1 P11511 1/20 0.36
ROR1 Q01973 1/20 0.36
MAPT P10636 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL28418398 0.87 ERN1 (0.57) ERN1LMNABACE1ALDH1A1MAPT
SCHEMBL12587469 0.84 ERN1 (0.46) ERN1LMNABACE1ALDH1A1MAPT
SCHEMBL12587575 0.84 GAA (0.38) ERN1LMNABACE1ALDH1A1ROR1
SCHEMBL4000526 0.83 ERN1 (0.38) ERN1LMNABACE1ALDH1A1MAPT
SCHEMBL12586745 0.83 HTR1D (0.33) ERN1BACE1HDAC8
SCHEMBL4099200 0.83 ERN1 (0.65) ERN1LMNAALDH1A1NQO2CYP19A1
SCHEMBL12587154 0.82 PDIA6 (0.34) ERN1HDAC8
SCHEMBL30401888 0.81 ERN1 (0.41) ERN1LMNABACE1ALDH1A1ROR1
SCHEMBL2028419 0.81 BACE1 (0.42) ERN1BACE1MAPTCYP3A4
SCHEMBL12586411 0.80 ERN1 (0.43) ERN1LMNABACE1ALDH1A1ROR1

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
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA ERN1 3392/4885LMNA 3424/4885BACE1 3092/4885
US-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC ERN1 3836/4885LMNA 2967/4885BACE1 3473/4885

“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.