SCHEMBL6747872

SCHEMBL6747872

[CH2]c1ccc(-c2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.61
TSHR P16473 1/20 0.61
RARB P10826 8/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
RARA P10276 2/20 0.59
MTOR P42345 1/20 0.59
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL27958067 1.00 HSD17B10 (0.61) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6745029 0.98 RARB (0.58) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL1006220 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL11096868 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL1613195 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL23755035 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL7335623 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL23754712 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL7929651 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL23754723 0.94 ESR1 (0.63) HSD17B10TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
CN-1071334-C Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2001-09-19 CN disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
CN-1119649-A Glycopeptide antibiotic derivatives LILLY CO ELI (US) 1996-04-03 CN 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 HSD17B10 2964/4885TSHR 2445/4885RARB 2747/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS HSD17B10 2670/4885TSHR 3475/4885RARB 2821/4885

“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.