SCHEMBL4599279

SCHEMBL4599279

CCc1cccc(Cc2[c]cccc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRB2 P47870 3/20 0.57
PTPN5 P54829 1/20 0.37
MGLL Q99685 1/20 0.33
ANPEP P15144 2/20 0.32
DPP4 P27487 2/20 0.32
PDK2 Q15119 1/20 0.32
IAPP P10997 1/20 0.32
HSPA5 P11021 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL921881 0.78 GABRA1 (0.85) GABRA1GABRB2PTPN5IAPPHSPA5
SCHEMBL1551923 0.77 HSPA5 (0.58) HSPA5TSHR
SCHEMBL199730 0.75 GABRA1 (1.00) GABRA1GABRB2PTPN5IAPP
SCHEMBL3993187 0.75 LMNA (0.37) TSHR
SCHEMBL972443 0.73 TRPA1 (0.44) HSPA5
SCHEMBL3237939 0.73 TAAR1 (0.41) TSHR
SCHEMBL10773164 0.73 GABRA1 (0.68) GABRA1GABRB2
SCHEMBL12816129 0.72 ALDH1A1 (0.35) TSHR
SCHEMBL7768291 0.72 ESR1 (0.36) TSHR
Water SCHEMBL28947715 0.71 GABRA1 (0.90) GABRA1GABRB2PTPN5IAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US claimed
EP-1906971-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-04-09 EP disclosed
EP-1809277-A2 PHOSPHONATE DERIVATIVES OF MYCOPHENOLIC ACID GILEAD SCIENCES, INC. (US) 2007-07-25 EP disclosed
WO-2006110157-A9 NUCLEOSIDE PHOSPHONATE CONJUGATES AS ANTI HIV AGENTS GILEAD SCIENCES INC (US) 2007-03-08 WO disclosed
WO-2007014352-A2 ANTIVIRAL PHOSPHONATE CONJUGATES FOR INHIBITION OF HIV GILEAD SCIENCES, INC. (US) 2007-02-01 WO disclosed
WO-2006047661-A2 PHOSPHONATE DERIVATIVES OF MYCOPHENOLIC ACID GILEAD SCIENCES, INC. (US) 2006-05-04 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-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP GABRA1 3741/4885GABRB2 3468/4885PTPN5 3651/4885

“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.