SCHEMBL19081002

SCHEMBL19081002

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4c-5ccc5oc6c7ccccc7ccc6c45)c4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARSA P15289 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25C P30307 1/20 0.31
CYP1A1 P04798 3/20 0.30
CYP1B1 Q16678 3/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 2/20 0.30
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL19080961 0.92 PRKDC (0.32) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19080967 0.89 ARSA (0.33) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19091070 0.89
SCHEMBL19080843 0.89 CYP1A1 (0.32) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19080658 0.88 CYP1A1 (0.37) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19080751 0.87 CYP1A1 (0.35) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19080829 0.87 ARSA (0.32) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19090995 0.87
SCHEMBL19081683 0.87 ARSA (0.32) ARSACDC25ACDC25CCYP1A1CYP1B1
SCHEMBL19080806 0.86 CYP1A1 (0.36) ARSACDC25ACDC25CCYP1A1CYP1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ARSA 4543/4885CDC25A 71/4885CDC25C 211/4885

“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.