SCHEMBL1348823

SCHEMBL1348823

CC(=O)[C@H]1C[C@@H](C(=O)O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.46
APLNR P35414 1/20 0.36
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL963070 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL965467 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6561035 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6561197 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6121809 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6382497 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL12914998 0.90 CD81 (0.39) CD81MEN1KMT2A
SCHEMBL15352277 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL21800873 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL10046563 0.77 CD81 (0.37) CD81APLNRSLC1A2SLC1A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062651-B1 Attractant pheromone for the male pink hibiscus mealybug, Maconellicoccus hirsutus (Green) (Homoptera: Pseudococcidae) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2011-11-22 US claimed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-9067966-B2 Lupeol-type triterpene derivatives as antivirals HETERO RESEARCH FOUNDATION, HETERO DRUGS LTD. (IN) 2015-06-30 US disclosed
WO-2014105926-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2014-07-03 WO disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
US-8062651-B1 Attractant pheromone for the male pink hibiscus mealybug, Maconellicoccus hirsutus (Green) (Homoptera: Pseudococcidae) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2011-11-22 US disclosed
US-8062651-B1 Attractant pheromone for the male pink hibiscus mealybug, Maconellicoccus hirsutus (Green) (Homoptera: Pseudococcidae) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2011-11-22 US disclosed
US-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-01-20 US disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 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 (3 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-20110015196-A1 LUPEOL-TYPE TRITERPENE DERIVATIVES AS ANTIVIRALS MAVS, IRF3, LSS CD81 2062/4885APLNR 3162/4885SLC1A2 4703/4885
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CD81 1199/4885APLNR 3302/4885SLC1A2 3756/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 CD81 2223/4885APLNR 3001/4885SLC1A2 1124/4885

“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.