SCHEMBL12306546

SCHEMBL12306546

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)s4)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.46
▸ HSD17B1 P14061 3/20 0.42
▸ HSD17B2 P37059 3/20 0.42
▸ NQO2 P16083 1/20 0.38

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
SCHEMBL12306512 0.95 HSD17B1 (0.46) PDK2HSD17B1HSD17B2NQO2
SCHEMBL12306558 0.94 HSD17B1 (0.45) PDK2HSD17B1HSD17B2NQO2
SCHEMBL22849302 0.91 PDK2 (0.41) PDK2
SCHEMBL30297640 0.88 PDK2 (0.53) PDK2
SCHEMBL12306545 0.87 HSD17B1 (0.40) PDK2HSD17B1HSD17B2NQO2
SCHEMBL26376313 0.86 APP (0.41) PDK2HSD17B1HSD17B2
SCHEMBL21010667 0.86 APP (0.41) PDK2HSD17B1HSD17B2NQO2
SCHEMBL9889920 0.85 PDK2 (0.42) PDK2HSD17B1HSD17B2NQO2
SCHEMBL9889922 0.85 HSD17B1 (0.42) PDK2HSD17B1HSD17B2NQO2
SCHEMBL15469312 0.85 PGR (0.36) PDK2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 — — US disclosed
US-8013160-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 — — US disclosed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 — — US disclosed
US-7781628-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781628-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7683225-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-03-23 — — US disclosed
US-7683225-B2 Fluorene-based derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-03-23 — — US disclosed
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — US disclosed
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-12-11 — — 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 (2 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-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME LEF1, FLNA, AFF2 PDK2 1028/4885HSD17B1 2402/4885HSD17B2 2130/4885
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME FLNA, AFF2, LEF1 PDK2 933/4885HSD17B1 2018/4885HSD17B2 1845/4885

“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.

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