SCHEMBL14762802

SCHEMBL14762802

CCOC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CACNA1A O00555 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNB1 Q02641 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MDM2 Q00987 1/20 0.39
RIPK1 Q13546 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL7122146 0.86 POLB (0.43) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3548773 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL3548775 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL31696759 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL5200976 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL26062663 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL29276034 0.85 MMP2 (0.41) ALDH1A1MEN1KMT2ACYP2C19KDM4E
SCHEMBL25366582 0.81 ATM (0.41) MEN1KMT2ARIPK1CHRM2CHRM4
SCHEMBL5204041 0.81 ATM (0.41) MEN1KMT2ARIPK1CHRM2CHRM4
SCHEMBL14762600 0.77 ALDH1A1 (0.41) ALDH1A1CACNA1ACACNA2D1CACNB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512074-B2 Radiolabeled inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2016-12-06 US disclosed
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2015-02-26 US disclosed
US-8895607-B2 Inhibitors of the amino acid transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA (US) 2014-11-25 US disclosed
US-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 THE UNIVERSITY OF MONTANA 2013-03-14 US 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-20130065935-A1 Novel Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1325/4885CACNA1A 1757/4885CACNA2D1 2146/4885
US-20150056138-A1 Radiolabeled Inhibitors of the Amino Acid Transporters ASCT1 and ASCT2 SLC1A2, SLC1A1, SLC1A3 ALDH1A1 1172/4885CACNA1A 1570/4885CACNA2D1 2023/4885

“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.