SCHEMBL4305849

SCHEMBL4305849

C=CCC(O)(CC=C)C(CO)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6680060 0.73 ALDH1A1 (0.39) ALDH1A1TSHRHTT
SCHEMBL355404 0.72 TSHR (0.42) ALDH1A1TSHRHTTABCC4MAPT
SCHEMBL901347 0.71 TSHR (0.37) TSHRMAPT
SCHEMBL371477 0.70 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL29249183 0.69 TSHR (0.38) ALDH1A1TSHRMAPT
SCHEMBL28387645 0.69 TSHR (0.35) ALDH1A1TSHR
SCHEMBL812660 0.69 TSHR (0.35) TSHR
SCHEMBL770454 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHTTABCC4MAPT
SCHEMBL10608081 0.69
SCHEMBL27263934 0.69 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA INC. (US) 2009-07-16 US disclosed
WO-2009086201-A1 2-5A ANALOGS AND THEIR USE AS ANTI-CANCER, ANTI-VIRAL AND ANTI- PARAS ITI C AGENTS ALIOS BIOPHARMA, INC. (US) 2009-07-09 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-20090181921-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 ALDH1A1 1161/4885TSHR 3042/4885HTT 3399/4885

“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.