SCHEMBL16017753

SCHEMBL16017753

CC(C)(C)CC(=O)OCc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
MIF P14174 1/20 0.40
BLM P54132 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL10243854 0.84 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL1828327 0.78 PPARG (0.46) ALDH1A1KMT2A
SCHEMBL14707337 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL17938471 0.74 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1MAPK1MIFKMT2A
SCHEMBL23142607 0.73 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL19387493 0.72 L3MBTL1 (0.48) ESR1L3MBTL1KMT2AMEN1MAPT
SCHEMBL2847154 0.71 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL6685103 0.71 ESR1 (0.74) ESR1THRATHRBALDH1A1BLM
SCHEMBL6449232 0.70 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL4178623 0.70 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1KMT2ALMNA

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-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
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

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 ESR1 2374/4885THRA 4808/4885THRB 4846/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 ESR1 641/4885THRA 4300/4885THRB 4202/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 ESR1 1402/4885THRA 4303/4885THRB 4266/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE ESR1 2597/4885THRA 4534/4885THRB 4568/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 ESR1 664/4885THRA 3688/4885THRB 3237/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 ESR1 4089/4885THRA 3750/4885THRB 4189/4885

“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.