SCHEMBL5613302

SCHEMBL5613302

CC(I)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 2/20 0.50
TPMT P51580 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
SRD5A2 P31213 2/20 0.48
ANPEP P15144 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL31192242 0.81 TSHR (0.60) TSHRTP53ALDH1A1TPMTSMN1; SMN2
SCHEMBL372015 0.81 TSHR (0.60) TSHRTP53ALDH1A1TPMTSMN1; SMN2
SCHEMBL105270 0.81 RXRA (0.62) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL23071346 0.80 TSHR (0.75) TSHRTP53ALDH1A1TPMTSMN1; SMN2
Terephthalic Acid SCHEMBL23069370 0.80 TSHR (0.75) TSHRTP53ALDH1A1TPMTSMN1; SMN2
Terephthalic Acid SCHEMBL28393368 0.80 TSHR (0.75) TSHRTP53ALDH1A1TPMTSMN1; SMN2
Hydrochloric Acid SCHEMBL7667894 0.79 RXRA (0.61) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9185162 0.79 RXRA (0.61) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6912492 0.79 TSHR (0.57) TSHRTP53ALDH1A1TPMTSMN1; SMN2
SCHEMBL6911963 0.79 TSHR (0.57) TSHRTP53ALDH1A1TPMTSMN1; SMN2

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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
CN-101024659-A Transition metal compound, polymerization initiator system including same and polymer production method SUMITOMO CHEMICAL CO (JP) 2007-08-29 CN disclosed
EP-1368381-B1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK AKZO NOBEL NV (NL) 2006-05-03 EP disclosed
US-7026304-B2 2-alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block AKZO NOBEL N.V. (NL) 2006-04-11 US disclosed
US-20040106575-A1 2-Alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block MERCK SHARP & DOHME B.V. (NL) 2004-06-03 US disclosed
EP-1368381-A1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK Akzo Nobel N.V. (NL) 2003-12-10 EP disclosed
WO-2002064635-A1 2-ALKYLATED-CYCLODEXTRIN DERIVATIVES: REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK AKZO NOBEL N.V. (NL) 2002-08-22 WO disclosed
US-4554360-A DIARYLIODONIUM SALT, IODOARENE, COUPLING NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-11-19 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 (2 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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer CARM1, CPN1, CCNT1 TSHR 4291/4885TP53 2689/4885ALDH1A1 1585/4885
US-20040106575-A1 2-Alkylated-cyclodextrin derivatives: reversal agents for drug-induced neuromuscular block SCN1B, SCN2B, CHRNB1 TSHR 3020/4885TP53 4871/4885ALDH1A1 3591/4885

“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.