SCHEMBL4168243

SCHEMBL4168243

O[C@H]1Cc2ccccc2[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
KDM1A O60341 4/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR1A P08908 3/20 0.39
OPRM1 P35372 2/20 0.39

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
SCHEMBL783223 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29833737 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19420453 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8049751 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3867845 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL562559 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5271544 1.00 ANPEP (0.42) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5166344 0.94 ANPEP (0.39) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6550318 0.83 KDM1A (0.48) ANPEPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8077009 0.81 ACHE (0.45)

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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS VALDEZ JOHNNY 2009-03-12 US disclosed
EP-1700122-A4 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS INC (US) 2008-05-21 EP disclosed
US-7202092-B2 Indinavir derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-04-10 US disclosed
EP-1700122-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2006-09-13 EP disclosed
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics ARK DIAGNOSTICS, INC. (US) 2005-11-03 US disclosed
WO-2005062979-A2 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS ARK DIAGNOSTICS (US) 2005-07-14 WO disclosed
US-20050148596-A1 Indinavir derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2005-07-07 US disclosed
US-6057479-A MULTISTAGE REACTION OF HYDROXY INDANONE WITH AMINE TO FORM IMINE, HEATING AND HYDROGENATION NIPPON STEEL CHEMICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0874059-A2 PROCESSES FOR PRODUCING INDANE DERIVATIVES NIPPON STEEL CHEMICAL CO., LTD. (JP) 1998-10-28 EP disclosed
EP-0874059-A1 PROCESSES FOR PRODUCING INDANE DERIVATIVES NIPPON STEEL CHEMICAL CO., LTD. (JP) 1998-10-28 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-20090068719-A1 IMMUNOASSAYS, HAPTENS, IMMUNOGENS AND ANTIBODIES FOR ANTI-HIV THERAPEUTICS CD4, MPI, ME1 ANPEP 65/4885GRIN2D 3962/4885GRIN3B 3587/4885
US-20050148596-A1 Indinavir derivatives useful in immunoassay IMPDH1, DIMT1, INMT ANPEP 461/4885GRIN2D 1947/4885GRIN3B 1517/4885
US-20050244816-A1 Immunoassays, haptens, immunogens and antibodies for anti-HIV therapeutics CD4, MPI, ME1 ANPEP 65/4885GRIN2D 3962/4885GRIN3B 3587/4885

“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.