SCHEMBL17525849

SCHEMBL17525849

Cc1ccc([C@@H]2CC(=O)O[C@]2(c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
MAOB P27338 4/20 0.35
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
LMNA P02545 2/20 0.32
NR1I2 O75469 2/20 0.32
RORC P51449 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP19A1 P11511 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL16065933 1.00 SLC6A9 (0.35) SLC6A9MAOBALDH1A1ALDH2MEN1
SCHEMBL16056074 1.00 SLC6A9 (0.35) SLC6A9MAOBALDH1A1ALDH2MEN1
SCHEMBL16066007 0.95 ALDH1A1 (0.36) SLC6A9MAOBALDH1A1ALDH2SIRT2
SCHEMBL16055341 0.95 ALDH1A1 (0.36) SLC6A9MAOBALDH1A1ALDH2SIRT2
SCHEMBL16066009 0.95 ALDH1A1 (0.36) SLC6A9MAOBALDH1A1ALDH2SIRT2
SCHEMBL16066005 0.90 KDM1A (0.37) MAOBALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL16056849 0.90 KDM1A (0.37) MAOBALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL17525850 0.90 KDM1A (0.37) MAOBALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL16066029 0.88 RORC (0.36) MAOBMEN1KMT2ALMNARORC
SCHEMBL17525817 0.88 RORC (0.36) MAOBMEN1KMT2ALMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 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 (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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT SLC6A9 2425/4885MAOB 232/4885ALDH1A1 96/4885
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT SLC6A9 2425/4885MAOB 232/4885ALDH1A1 96/4885
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations CBR1, CBR3, CAT SLC6A9 2425/4885MAOB 232/4885ALDH1A1 96/4885

“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.