SCHEMBL851083

SCHEMBL851083

C[C@H](N)[C@H](O)COc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
AAK1 Q2M2I8 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
Hydrochloric Acid SCHEMBL835699 0.98 ALDH1A1 (0.41) CARM1PRMT6ALDH1A1GAAMEN1
SCHEMBL13320912 0.83 ALDH1A1 (0.42) CARM1PRMT6ALDH1A1GAAMEN1
SCHEMBL1696843 0.83 ALDH1A1 (0.42) CARM1PRMT6ALDH1A1GAAMEN1
SCHEMBL21937370 0.80 ALDH1A1 (0.49) ALDH1A1GAAMEN1HPGDKMT2A
SCHEMBL3010604 0.77 SMN1; SMN2 (0.41) AAK1
SCHEMBL3010600 0.77 SMN1; SMN2 (0.41) AAK1
SCHEMBL2832646 0.75 SLC6A9 (0.46) CARM1PRMT6ALDH1A1MEN1HPGD
SCHEMBL13197618 0.75 MEN1 (0.44) CARM1PRMT6ALDH1A1MEN1HPGD
SCHEMBL13197626 0.75 MEN1 (0.44) CARM1PRMT6ALDH1A1MEN1HPGD
SCHEMBL8116095 0.75 SLC6A9 (0.46) CARM1PRMT6ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 CARM1 2500/4885PRMT6 1583/4885ALDH1A1 699/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CARM1 2500/4885PRMT6 1583/4885ALDH1A1 699/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CARM1 2500/4885PRMT6 1583/4885ALDH1A1 699/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 CARM1 2500/4885PRMT6 1583/4885ALDH1A1 699/4885

“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.