SCHEMBL6745194

SCHEMBL6745194

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
TP53 P04637 2/20 0.43
UCHL1 P09936 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
CYP2A6 P11509 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
METAP2 P50579 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL51393 0.92
SCHEMBL27887318 0.89 TP53 (0.48) EGFRTP53TAAR1CYP2A6LPL
SCHEMBL1702558 0.86 TP53 (0.56) EGFRTP53UCHL1TAAR1HRH3
SCHEMBL2776957 0.86 TP53 (0.56) EGFRTP53UCHL1TAAR1HRH3
SCHEMBL6747631 0.80 LPL (0.45) HRH3LPLLIPGNISCHCA2
SCHEMBL19423242 0.78 RXRA (0.48) EGFRTP53UCHL1TAAR1HRH3
Ethylene SCHEMBL27468236 0.76 TP53 (0.59) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL36295 0.76 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL403303 0.76 TP53 (0.68) TP53TAAR1CYP2A6ALDH1A1TSHR
SCHEMBL2493917 0.76 IDO1 (0.48) EGFRTP53UCHL1TAAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264357-B Melanin production inhibitor POLA CHEM IND INC 2015-04-01 CN disclosed
CN-102264357-A Melanin production inhibitor 2011-11-30 CN disclosed
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
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO 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 EGFR 790/4885TP53 2645/4885UCHL1 3664/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS EGFR 703/4885TP53 1743/4885UCHL1 3976/4885

“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.