SCHEMBL16093740

SCHEMBL16093740

CC(=O)c1cccc(-c2c(C(=O)O)cccc2[N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
AKR1C3 P42330 4/20 0.52
AKR1C2 P52895 4/20 0.52
ALDH1A1 P00352 1/20 0.50
ABCB1 P08183 3/20 0.46
ABCC1 P33527 2/20 0.46
FBP1 P09467 1/20 0.45
MAPT P10636 1/20 0.44
ERN1 O75460 1/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
CREBBP Q92793 1/20 0.43
POLB P06746 2/20 0.42
CDC25B P30305 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL16120026 0.88 ALDH1A1 (0.49) TSHRAKR1C3AKR1C2ALDH1A1ABCB1
SCHEMBL16093623 0.86 ABCB1 (0.49) TSHRAKR1C3AKR1C2ALDH1A1ABCB1
SCHEMBL593074 0.82 TSHR (0.60) TSHRALDH1A1FBP1MAPTPOLB
SCHEMBL16098593 0.82 ALDH1A1 (0.51) TSHRAKR1C3AKR1C2ALDH1A1ABCB1
SCHEMBL29471725 0.79 TSHR (0.68) TSHRALDH1A1FBP1MAPTPOLB
SCHEMBL8610738 0.79 TSHR (0.68) TSHRALDH1A1FBP1MAPTPOLB
SCHEMBL16120016 0.77 EIF4E (0.53) TSHRFBP1POLB
SCHEMBL6800263 0.77 TSHR (0.62) TSHRALDH1A1FBP1MAPTPOLB
SCHEMBL17461846 0.76 CASP6 (0.53) TSHRAKR1C3AKR1C2ALDH1A1ABCB1
SCHEMBL7628341 0.74 POLB (0.67) TSHRAKR1C3AKR1C2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT TSHR 2251/4885AKR1C3 188/4885AKR1C2 164/4885

“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.