SCHEMBL4397704

SCHEMBL4397704

CC(C)(C)c1ccc(-c2ccc([O])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
XDH P47989 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 1/20 0.41
NOTUM Q6P988 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SRD5A2 P31213 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1D P28221 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL9938320 1.00 KIF11 (0.56) KIF11TSHRLMNATYRXDH
SCHEMBL55222 0.92 TSHR (0.55) KIF11TSHRLMNATYRNPC1
SCHEMBL3423876 0.86 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL26915 0.86 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL1931781 0.83 KIF11 (0.67) KIF11TSHRLMNATYRXDH
SCHEMBL23319641 0.78 KIF11 (0.61) KIF11TSHRLMNATYRXDH
SCHEMBL4322427 0.78 KIF11 (0.61) KIF11TSHRLMNATYRXDH
SCHEMBL9577047 0.77 ESR1 (0.54) KIF11TSHRLMNATYRNPC1
SCHEMBL424728 0.76 TSHR (0.73) KIF11TSHRLMNATYRNPC1
SCHEMBL14677847 0.76 ALDH1A1 (0.38) ALDH1A1CA12CA9

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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 KIF11 2857/4885TSHR 3610/4885LMNA 1502/4885

“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.