SCHEMBL6284033

SCHEMBL6284033

COc1ccc(-c2ccc(C)n2Cc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 4/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
BACE1 P56817 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
FAAH O00519 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HPGD P15428 3/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LTA4H P09960 1/20 0.44
USP2 O75604 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
TSHR P16473 3/20 0.42

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
SCHEMBL6279721 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EHTTSMN1; SMN2BACE1
SCHEMBL6287671 0.87 KDM4E (0.63) ALDH1A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL6284066 0.81 PPARG (0.59)
SCHEMBL19048416 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTALOX15SIGMAR1
SCHEMBL6285809 0.71 NPC1 (0.48) ALDH1A1KDM4ESMN1; SMN2BACE1MAPT
SCHEMBL5442944 0.70 GRIK1 (0.52) ALDH1A1KDM4EHTTSMN1; SMN2BACE1
SCHEMBL6285893 0.70 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTALOX15
SCHEMBL15834450 0.70 LTA4H (0.82) ALDH1A1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL19206085 0.70 SIGMAR1 (0.64) ALDH1A1KDM4EHTTFAAHTDP1
SCHEMBL8729399 0.69 SIGMAR1 (0.67) ALDH1A1KDM4EHTTSMN1; SMN2MAPT

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 ALDH1A1 2470/4885KDM4E 171/4885HTT 4693/4885

“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.