SCHEMBL6828513

SCHEMBL6828513

[CH]=CC(C)CCC=C(C)CCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
KDM1A O60341 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
UGT1A1 P22309 1/20 0.31
SQLE Q14534 1/20 0.31
PTPN1 P18031 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL20875727 0.84 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL8059072 0.83 KMT2A (0.57) KMT2AMAPTALDH1A1ALOX15MEN1
SCHEMBL8059069 0.83 KMT2A (0.57) KMT2AMAPTALDH1A1ALOX15MEN1
SCHEMBL19480634 0.81 KDM1A (0.37) KMT2AKDM1AALOX15FNTAFNTB
SCHEMBL424212 0.81 KMT2A (0.34) KMT2AKDM1AMAPTALDH1A1ALOX15
SCHEMBL2003932 0.79 KDM1A (0.44) KMT2AKDM1AMAPTALDH1A1ALOX15
SCHEMBL2003931 0.79 KDM1A (0.44) KMT2AKDM1AMAPTALDH1A1ALOX15
SCHEMBL1658548 0.78 KMT2A (0.38) KMT2AKDM1AMAPTALDH1A1ALOX15
SCHEMBL1658549 0.78 KMT2A (0.38) KMT2AKDM1AMAPTALDH1A1ALOX15
SCHEMBL5247598 0.77 ALOX15 (0.50) KMT2AALDH1A1ALOX15MEN1CYP3A4

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-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 KMT2A 563/4885KDM1A 383/4885MAPT 4869/4885

“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.