SCHEMBL6479906

SCHEMBL6479906

COc1cc2c(cc1OC)CN(C(=O)/C=C/c1c(-c3ccc4c(c3)OCO4)n(C)c3ncccc13)CC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.53
ABCC1 P33527 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MDM2 Q00987 1/20 0.39
HPGD P15428 1/20 0.38
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL6479910 1.00 ABCB1 (0.53) ABCB1ABCC1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6480160 0.99 ABCB1 (0.52) ABCB1ABCC1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6480158 0.99 ABCB1 (0.52) ABCB1ABCC1MAPTMEN1KMT2A
SCHEMBL6478356 0.91 ABCB1 (0.58) ABCB1MAPTMEN1KMT2AATM
SCHEMBL6478362 0.91 ABCB1 (0.58) ABCB1MAPTMEN1KMT2AATM
Hydrochloric Acid SCHEMBL6477704 0.90 ABCB1 (0.57) ABCB1MAPTMEN1KMT2AATM
Hydrochloric Acid SCHEMBL6477710 0.90 ABCB1 (0.57) ABCB1MAPTMEN1KMT2AATM
SCHEMBL6479525 0.88 ABCB1 (0.66) ABCB1ABCC1MAPTMEN1KMT2A
SCHEMBL30680371 0.88 ABCB1 (0.66) ABCB1ABCC1MAPTMEN1KMT2A
SCHEMBL6479530 0.88 ABCB1 (0.66) ABCB1ABCC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US claimed

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 ABCB1 2911/4885ABCC1 2064/4885MAPT 4750/4885

“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.