SCHEMBL12306512

SCHEMBL12306512

CC1(C)c2cc(-c3cccc(-c4ccc(-c5ccccc5)s4)c3)ccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5)s4)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 8/20 0.46
▸ HSD17B2 P37059 8/20 0.46
▸ PDK2 Q15119 6/20 0.42
▸ NQO2 P16083 3/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PRF1 P14222 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL12306558 0.98 HSD17B1 (0.45) HSD17B1HSD17B2PDK2NQO2CYP3A4
SCHEMBL12306546 0.95 PDK2 (0.46) HSD17B1HSD17B2PDK2NQO2
SCHEMBL12306545 0.92 HSD17B1 (0.40) HSD17B1HSD17B2PDK2NQO2CYP3A4
SCHEMBL9889920 0.89 PDK2 (0.42) HSD17B1HSD17B2PDK2NQO2CYP3A4
SCHEMBL9889922 0.89 HSD17B1 (0.42) HSD17B1HSD17B2PDK2NQO2CYP3A4
SCHEMBL22849302 0.85 PDK2 (0.41) PDK2PRF1
SCHEMBL13020737 0.84 APP (0.43) HSD17B1HSD17B2PDK2NQO2MEN1
SCHEMBL13125841 0.83 APP (0.45) HSD17B1HSD17B2PDK2NQO2CYP3A4
SCHEMBL26376313 0.82 APP (0.41) HSD17B1HSD17B2PDK2
SCHEMBL21010667 0.82 APP (0.41) HSD17B1HSD17B2PDK2NQO2

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 9 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-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 HSD17B1 2402/4885HSD17B2 2130/4885PDK2 1028/4885
US-20080303433-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME FLNA, AFF2, LEF1 HSD17B1 2018/4885HSD17B2 1845/4885PDK2 933/4885

“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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