SCHEMBL101014

SCHEMBL101014

Cc1cc(CC(=O)O)cc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
THRB P10828 7/20 0.40
THRA P10827 6/20 0.40
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1B1 P15121 1/20 0.38
PFKFB3 Q16875 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RGS12 O14924 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL6952122 0.88 FABP3 (0.45) KDM4EGAAFABP3FABP4THRB
SCHEMBL1286171 0.82 AKR1B1 (0.48) KDM4EGAATHRBTHRAPTGS1
SCHEMBL593771 0.82 TPMT (0.48) KDM4EGAATHRBTHRAPTGS1
SCHEMBL22774294 0.80 ADRB2 (0.42) FABP3FABP4THRBTHRAUSP5
Hydrochloric Acid SCHEMBL2529215 0.80 TPMT (0.46) KDM4EGAATHRBTHRAPTGS1
SCHEMBL9622672 0.79 KDM4E (0.42) KDM4EGAAFABP3FABP4AKR1C3
Acetic Acid SCHEMBL28420889 0.78 TPMT (0.44) KDM4EGAATHRBTHRAPTGS1
SCHEMBL12030859 0.76 ACHE (0.36) KDM4EFABP3FABP4PTGS1POLB
SCHEMBL30513692 0.76 HPGD (0.43) KDM4EPOLBALDH1A1LMNAHPGD
SCHEMBL22773914 0.76 RXRA (0.50) ALDH1A1

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-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR KDM4E 2522/4885GAA 1168/4885FABP3 2319/4885

“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.