SCHEMBL16017754

SCHEMBL16017754

CC(C)(C)CCCOC(=O)OCC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL249417 0.91 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL8691486 0.83 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL320682 0.82 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10
SCHEMBL9036660 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25906795 0.81 CA1 (0.35) ALDH1A1
SCHEMBL16017828 0.80 ADRA2A (0.41)
SCHEMBL20834266 0.80 NAAA (0.52) ALDH1A1LMNA
SCHEMBL18924873 0.80 NAAA (0.52) ALDH1A1LMNA
SCHEMBL9839868 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5187604 0.78 TSHR (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 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 (6 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP ALDH1A1 380/4885LMNA 3463/4885HSD17B10 179/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 ALDH1A1 580/4885LMNA 3792/4885HSD17B10 23/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 ALDH1A1 879/4885LMNA 3242/4885HSD17B10 24/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE ALDH1A1 641/4885LMNA 3465/4885HSD17B10 259/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 ALDH1A1 264/4885LMNA 3852/4885HSD17B10 28/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 ALDH1A1 1069/4885LMNA 3458/4885HSD17B10 216/4885

“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.