SCHEMBL5439558

SCHEMBL5439558

CCc1cc(C)cc(Cl)c1C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
PTGS2 P35354 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35
PTGS1 P23219 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL27401142 0.81 TSHR (0.36) TSHRALDH1A1HPGDPOLBALOX15
SCHEMBL3151639 0.77 SRC (0.41) TSHRAKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL3172935 0.76 AKR1C3 (0.36) AKR1C3AKR1C2ALDH1A1HPGDKDM4E
SCHEMBL31318197 0.74 ALOX15 (0.37) AKR1C3AKR1C2ALDH1A1HPGDKDM4E
SCHEMBL6306274 0.72 TPMT (0.39) TSHRAKR1C2ALDH1A1HPGDKDM4E
SCHEMBL7146446 0.72 PTGS2 (0.41) AKR1C3AKR1C2ALDH1A1HPGDKDM4E
SCHEMBL7152622 0.72 PTGS2 (0.41) AKR1C3AKR1C2ALDH1A1HPGDKDM4E
SCHEMBL6399236 0.72 PTGS2 (0.41) AKR1C3AKR1C2ALDH1A1HPGDKDM4E
SCHEMBL3179347 0.72 AKR1C3 (0.36) TSHRAKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL509061 0.71 AKR1B1 (0.44) TSHRALDH1A1HPGDKDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1697321-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES Bayer CropScience AG (DE) 2006-09-06 EP disclosed
WO-2005044796-A1 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-19 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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 TSHR 198/4885AKR1C3 914/4885AKR1C2 648/4885

“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.