SCHEMBL17427508

SCHEMBL17427508

COc1ccccc1C1(c2ccccc2C)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDK2 Q15119 2/20 0.40
ALDH1A1 P00352 3/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
HTR7 P34969 3/20 0.37

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
SCHEMBL14191206 0.91 CA1 (0.50) CA1CA2CA12CA4CA7
SCHEMBL8984654 0.84 ESR1 (0.50) ESR1ESR2PDK2TDP1SMN1; SMN2
SCHEMBL30749099 0.76 PDK2 (0.59) CA1CA2CA12CA4CA7
SCHEMBL14191208 0.76 MAPT (0.44) CA1CA2CA12CA4CA7
SCHEMBL995102 0.76 CA1 (0.46) CA1CA2CA12CA4CA7
SCHEMBL4824717 0.75 TP53 (0.52) CA1CA2CA12CA4CA7
SCHEMBL20127222 0.74 NQO2 (0.42) CA1CA2CA12CA4CA7
SCHEMBL21345521 0.74 NQO2 (0.42) CA1CA2CA12CA4CA7
SCHEMBL25706720 0.73 ESR1 (0.49) ESR1ESR2PDK2TDP1SMN1; SMN2
SCHEMBL3420224 0.72 MAOB (0.47) CA1CA2ESR1ESR2PDK2

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-20180114698-A2 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2018-04-26 US disclosed
US-20170154782-A1 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2017-06-01 US disclosed
US-20160011512-A1 COMPOSITION, METHOD FOR PRODUCING PATTERNED SUBSTRATE, FILM AND FORMING METHOD THEREOF, AND COMPOUND JSR CORPORATION (JP) 2016-01-14 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-20160011512-A1 COMPOSITION, METHOD FOR PRODUCING PATTERNED SUBSTRATE, FILM AND FORMING METHOD THEREOF, AND COMPOUND PKN2, FOXK1, SPIN1 CA1 279/4885CA2 2166/4885CA12 1088/4885

“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.