SCHEMBL13232104

SCHEMBL13232104

COC(=O)c1ccccc1NC(=O)CC(C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 4/20 0.60
TSHR P16473 2/20 0.60
MAPK10 P53779 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.56
HTT P42858 2/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL17612305 0.85 KMT2A (0.62) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13232107 0.83 ALDH1A1 (0.62) KMT2AALDH1A1KDM4EHSD17B10HTT
SCHEMBL10502377 0.81 KMT2A (1.00) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL17115785 0.80 TSHR (0.63) KMT2AALDH1A1KDM4EHSD17B10TSHR
Hydrochloric Acid SCHEMBL10929959 0.79 KMT2A (0.66) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9958465 0.79 KMT2A (0.81) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL14426829 0.78 KDM4E (0.74) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL31324947 0.78 KDM4E (0.74) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL13936057 0.78 KDM4E (0.74) KMT2AALDH1A1KDM4EHSD17B10TSHR
SCHEMBL5928699 0.77 KMT2A (0.78) KMT2AALDH1A1KDM4EHSD17B10TSHR

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-9657228-B2 Performance boosting UV-absorbing compounds ISP INVESTMENTS LLC (US) 2017-05-23 US disclosed
US-9657228-B2 Performance boosting UV-absorbing compounds ISP INVESTMENTS LLC (US) 2017-05-23 US disclosed
US-20140023601-A1 PERFORMANCE BOOSTING UV-ABSORBING COMPOUNDS ISP INVESTMENT INC. (US) 2014-01-23 US disclosed
US-20140023601-A1 PERFORMANCE BOOSTING UV-ABSORBING COMPOUNDS ISP INVESTMENT INC. (US) 2014-01-23 US disclosed
US-8557226-B2 Performance-boosting UV-absorbing compounds ISP INVESTMENTS INC. (US) 2013-10-15 US disclosed
US-8557226-B2 Performance-boosting UV-absorbing compounds ISP INVESTMENTS INC. (US) 2013-10-15 US disclosed
US-20100183532-A1 Performance-Boosting UV-Absorbing Compounds HERCULES LLC 2010-07-22 US disclosed
US-20100183532-A1 Performance-Boosting UV-Absorbing Compounds HERCULES LLC 2010-07-22 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 (1 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-20100183532-A1 Performance-Boosting UV-Absorbing Compounds APOB, ALOX5, RARG KMT2A 4151/4885ALDH1A1 118/4885KDM4E 3294/4885

“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.