SCHEMBL18066973

SCHEMBL18066973

CCCCCCc1ccc(-c2ccc(-c3ccc(C4=C5C(=O)N(CC(CC)CCCC)C(c6ccc(-c7cc8c(OCC(CC)CCCC)c9sc(-c%10ccc(C%11=C%12C(=O)N(CC(CC)CCCC)C(c%13ccc(-c%14ccc(-c%15ccc(CCCCCC)s%15)s%14)s%13)=C%12C(=O)N%11CC(CC)CCCC)s%10)cc9c(OCC(CC)CCCC)c8s7)s6)=C5C(=O)N4CC(CC)CCCC)s3)s2)s1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18066987 0.95 KDM4E (0.31) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18066966 0.93 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL17127383 0.90 CTSV (0.30)
SCHEMBL18066981 0.88 KDM4E (0.32) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18066972 0.86 KMT2A (0.37) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18066983 0.86 KMT2A (0.37) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL2944687 0.86 KMT2A (0.37) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL17127382 0.85 EIF4A1 (0.30)
SCHEMBL18066964 0.85 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL17127394 0.85 KDM4E (0.30) KDM4EALDH1A1THRBHPGDKMT2A

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-20160272656-A1 SINGLE MOLECULE AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2016-09-22 US disclosed
US-20160272656-A1 SINGLE MOLECULE AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2016-09-22 US disclosed
EP-3064500-A2 SINGLE MOLECULE AND ORGANIC SOLAR CELL COMPRISING SAME LG Chem, Ltd. (KR) 2016-09-07 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-20160272656-A1 SINGLE MOLECULE AND ORGANIC SOLAR CELL COMPRISING SAME EPCAM, OR10J3, CDH1 KDM4E 985/4885ALDH1A1 2775/4885THRB 4789/4885

“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.