SCHEMBL3488752

SCHEMBL3488752

COCCCOc1cc(C(=O)O)ccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
TPMT P51580 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
HTT P42858 1/20 0.43
PLA2G4B P0C869 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3488798 0.87 ALDH1A1 (0.39) ALDH1A1RAB9AKDM4EHTTHPGD
SCHEMBL3373279 0.86 HDAC6 (0.50) TSHRKDM4EPOLBMAPT
SCHEMBL3046494 0.85 EGFR (0.49) TSHRCA12CA1CA2CA4
SCHEMBL3489482 0.84 HDAC6 (0.36) ALDH1A1KDM4EPOLBHTTHPGD
SCHEMBL30683868 0.81 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL22160237 0.81 PTPN11 (0.50) TSHRCA12CA1CA2CA4
SCHEMBL88998 0.81 CA12 (0.67) TSHRCA12CA1CA2CA4
SCHEMBL89386 0.81 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL2936694 0.81 TSHR (0.53) TSHRCA12CA1CA2CA4
SCHEMBL17311463 0.80 MAPT (0.47) ALDH1A1RAB9AKDM4EERN1HTT

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885CA12 977/4885CA1 804/4885

“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.