SCHEMBL6279743

SCHEMBL6279743

COc1ccc(CCn2c(OC)ccc2C(Cc2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
SMPD1 P17405 1/20 0.41
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6285923 0.73 ESR1 (0.48) SIGMAR1TDP1KDM4EMEN1KMT2A
SCHEMBL6283150 0.73 PPARG (0.58)
SCHEMBL6279738 0.70 RAB9A (0.49) SIGMAR1SMPD1MEN1KMT2AATM
SCHEMBL2355634 0.67 LTA4H (0.75) SIGMAR1TDP1LTA4HMEN1KMT2A
SCHEMBL10484073 0.67 ESR1 (0.56) KDM4EMEN1KMT2AATML3MBTL1
SCHEMBL11775034 0.66 LTA4H (0.67) SIGMAR1LTA4HMEN1KMT2A
SCHEMBL17150143 0.66 SMPD1 (0.78) SIGMAR1KDM4ESMPD1MEN1KMT2A
SCHEMBL13150788 0.66 SIGMAR1 (0.88) SIGMAR1SMPD1
SCHEMBL14450490 0.65 SIGMAR1 (1.00) SIGMAR1
SCHEMBL10484125 0.64 ESR1 (0.60) SIGMAR1

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-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM SIGMAR1 2310/4885TDP1 1772/4885KDM4E 171/4885

“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.