SCHEMBL6540834

SCHEMBL6540834

COc1ccc(Sc2ccc(CCN)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ATM Q13315 1/20 0.67
CYP19A1 P11511 2/20 0.54
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
APEX1 P27695 1/20 0.51
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 3/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.49
HTR2C P28335 2/20 0.46
HTR6 P50406 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
CA2 P00918 1/20 0.46
MAOB P27338 2/20 0.45

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
SCHEMBL210639 0.81 ATM (1.00) KDM4EATMCYP19A1TSHRCYP1A2
SCHEMBL29351641 0.81 ATM (1.00) KDM4EATMCYP19A1TSHRCYP1A2
SCHEMBL30832957 0.80 CA2 (0.52) TSHRCYP1A2CYP3A4LMNAMAPK1
SCHEMBL7859196 0.80 CA2 (0.52) TSHRCYP1A2CYP3A4LMNAMAPK1
SCHEMBL4463419 0.80 TAAR1 (0.78) TAAR1MAOBAOC3
Bromide SCHEMBL11470661 0.79 ATM (0.96) KDM4EATMCYP19A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL3745006 0.79 ATM (0.96) KDM4EATMCYP19A1TSHRCYP1A2
Iodide SCHEMBL10518637 0.79 ATM (0.96) KDM4EATMCYP19A1TSHRCYP1A2
SCHEMBL7692257 0.78 HTR2C (0.55) KDM4ETSHRCYP1A2CYP3A4KMT2A
SCHEMBL6540989 0.78 MAOB (0.61) KDM4EATMTAAR1HTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 KDM4E 2107/4885ATM 2195/4885CYP19A1 880/4885

“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.