SCHEMBL4490282

SCHEMBL4490282

COC(=O)c1cccc(COC2CCCCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
MRGPRX4 Q96LA9 4/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
CREBBP Q92793 2/20 0.48
EP300 Q09472 1/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
SLC7A5 Q01650 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19889483 0.89 LMNA (0.44) PPM1DLOXL2MRGPRX4CYP4F2CYP4A11
SCHEMBL18105999 0.89 LMNA (0.44) PPM1DLOXL2MRGPRX4CYP4F2CYP4A11
SCHEMBL4505041 0.88 MEN1 (0.54) MRGPRX4CREBBPEP300ALDH1A1RAB9A
SCHEMBL26192067 0.85 SMN1; SMN2 (0.46) MRGPRX4CREBBPEP300MAPTRAB9A
SCHEMBL3809200 0.85 KMT2A (0.48) LOXL2CREBBPEP300TSHRKDM4E
SCHEMBL4456107 0.84 TSHR (0.46) CREBBPEP300TSHRALDH1A1MAPT
SCHEMBL4315290 0.83 CREBBP (0.58) PPM1DCREBBPEP300KDM4EALDH1A1
SCHEMBL10923937 0.82 MRGPRX4 (0.50) PPM1DMRGPRX4CYP4F2CYP4A11HPGD
SCHEMBL10235987 0.82 ALDH1A1 (0.49) CREBBPEP300ALDH1A1RAB9AHPGD
SCHEMBL3640912 0.82 ALDH1A1 (0.46) PPM1DCREBBPEP300ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS PPM1D 4471/4885LOXL2 2411/4885MRGPRX4 1550/4885

“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.