SCHEMBL4286598

SCHEMBL4286598

CC(C)COc1ccc(C(O)c2ccc(OCC(C)C)c(/C=C/C(=O)O)c2)c(OCC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL4286603 1.00 AKR1C3 (0.41) AKR1C3CA12CA1CA2CA4
SCHEMBL4281916 0.79 FOS (0.47) AKR1C3ALDH1A1FOSJUNAKR1C2
SCHEMBL4859391 0.78 FOS (0.48) AKR1C3POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4859395 0.78 FOS (0.48) AKR1C3POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4285091 0.77 FOS (0.61) POLBALDH1A1SMN1; SMN2FOSJUN
SCHEMBL4277088 0.74 FOS (0.48) ALDH1A1SMN1; SMN2FOSJUNMAPT
SCHEMBL2961596 0.71 PTGER4 (0.61) AKR1C3CA1CA2CA4KDM4E
SCHEMBL2961597 0.71 PTGER4 (0.61) AKR1C3CA1CA2CA4KDM4E
SCHEMBL7194758 0.70 PDE4A (0.47) MAPTXDH
SCHEMBL7194909 0.70 PDE4A (0.49) KMT2AMEN1MAPT

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 AKR1C3 1841/4885CA12 3324/4885CA1 2480/4885

“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.