SCHEMBL6287779

SCHEMBL6287779

CCCCCCCCn1c(C)ccc1-c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
SMPD1 P17405 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR8 Q9NR97 1/20 0.45
NPC1 O15118 1/20 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
SCHEMBL6287258 1.00 PDE4B (0.50) PDE4BSMPD1ALDH1A1KDM4EMAPT
SCHEMBL6287191 1.00 PDE4B (0.50) PDE4BSMPD1ALDH1A1KDM4EMAPT
SCHEMBL6287320 1.00 PDE4B (0.50) PDE4BSMPD1ALDH1A1KDM4EMAPT
SCHEMBL6286533 1.00 PDE4B (0.50) PDE4BSMPD1ALDH1A1KDM4EMAPT
SCHEMBL6287907 1.00 PDE4B (0.50) PDE4BSMPD1ALDH1A1KDM4EMAPT
SCHEMBL6283238 0.86 ALDH1A1 (0.48) PDE4BALDH1A1KDM4EMAPTALOX15
SCHEMBL6286307 0.82 ESR1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6287201 0.82 ESR1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6286424 0.82 ESR1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL6285796 0.82 ESR1 (0.44) ALDH1A1KDM4EMAPTHPGDLMNA

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 PDE4B 2748/4885SMPD1 694/4885ALDH1A1 2470/4885

“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.