SCHEMBL19735289

SCHEMBL19735289

CC(C)(C)c1cccc(-c2ccc(-c3cccc(C(C)(C)C)c3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
HSD17B1 P14061 11/20 0.52
HSD17B2 P37059 11/20 0.52
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NQO2 P16083 1/20 0.42
ACHE P22303 2/20 0.42
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
APP P05067 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
SCHEMBL20097508 0.96 HSD17B1 (0.55) KIF11HSD17B1HSD17B2RXRARXRB
SCHEMBL26144030 0.90 KIF11 (0.50) KIF11HSD17B1HSD17B2RXRARXRB
SCHEMBL12622623 0.88 KIF11 (0.53) KIF11HSD17B1HSD17B2RXRARXRB
SCHEMBL5547288 0.84 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL30023786 0.84 KIF11 (0.72) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL27659191 0.81 KIF11 (0.76) KIF11RXRARXRBHDAC4HDAC2
SCHEMBL25451079 0.81 HSD17B1 (0.48) KIF11HSD17B1HSD17B2RXRARXRB
SCHEMBL13483897 0.81 CYP3A4 (0.55) HSD17B1HSD17B2RXRARXRBCYP3A4
SCHEMBL17994290 0.81 HSD17B1 (0.52) KIF11HSD17B1HSD17B2CYP3A4CYP2C19
SCHEMBL25706667 0.79 KIF11 (0.67) KIF11RXRARXRBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 KIF11 1106/4885HSD17B1 247/4885HSD17B2 226/4885

“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.