SCHEMBL6539223

SCHEMBL6539223

COC(=O)c1ccc(-c2ccccc2CCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
CDC25B P30305 2/20 0.48
PTPN1 P18031 2/20 0.48
PTPRC P08575 1/20 0.48
PTPRF P10586 1/20 0.48
TSHR P16473 1/20 0.47
CDC25A P30304 1/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
CYP4A11 Q02928 2/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
CYP4F2 P78329 1/20 0.44
ALDH1A2 O94788 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALDH1A3 P47895 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL7021441 0.82 PTPN1 (0.54) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL7176319 0.81 EGFR (0.55) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL3311897 0.79 EGFR (0.50) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL7774863 0.78 MAPT (0.65) EGFRTSHRMAPTRAB9AL3MBTL1
SCHEMBL27708108 0.77 EGFR (0.71) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL6539227 0.76 CYP4A11 (0.60) CYP4A11MAPTRAB9ACYP4F2ALDH1A1
SCHEMBL4652479 0.76 SLC6A4 (0.57) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL13232062 0.76 EGFR (0.64) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL7173663 0.75 MTNR1A (0.50) EGFRCDC25BPTPN1PTPRCPTPRF
SCHEMBL7776533 0.75 MAPT (0.60) EGFRMAPTRAB9AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA EGFR 3465/4885CDC25B 2802/4885PTPN1 2116/4885

“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.