SCHEMBL11675409

SCHEMBL11675409

CN(CCOCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GBA1 P04062 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
LYPLA1 O75608 1/20 0.43
LYPLA2 O95372 1/20 0.43
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL12258221 0.90 LYPLA1 (0.42) TSHRGBA1ALDH1A1LMNAHTT
SCHEMBL11676157 0.89 LYPLA1 (0.41) TSHRGBA1LMNAHTTLYPLA1
SCHEMBL11677202 0.85 HTR7 (0.46) TSHRGBA1ALDH1A1HTTL3MBTL1
SCHEMBL12258219 0.85 PPARG (0.40) TSHRGBA1ALDH1A1LMNAHTT
SCHEMBL11679757 0.84 TAAR1 (0.47) TAAR1
SCHEMBL8352890 0.82 LYPLA1 (0.58) TSHRALDH1A1LMNAHTTLYPLA1
SCHEMBL25359144 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL30678583 0.81 LYPLA1 (0.57) TSHRALDH1A1LMNAHTTLYPLA1
SCHEMBL9768334 0.81 PPARG (0.56) TSHRALDH1A1LMNAHTTLYPLA1
SCHEMBL1637985 0.81 ALOX15 (0.43) TSHRALDH1A1HTTTAAR1

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-9394233-B2 ROS-activated compounds as selective anti-cancer therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-07-19 US disclosed
US-9394233-B2 ROS-activated compounds as selective anti-cancer therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-07-19 US disclosed
US-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2013-09-05 US disclosed
US-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2013-09-05 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 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-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics ROS1, NOX4, NOX1 TSHR 4113/4885GBA1 1627/4885ALDH1A1 263/4885

“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.