SCHEMBL12038813

SCHEMBL12038813

CC1(C)c2cc(OBO)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PDK2 Q15119 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ PTGER3 P43115 2/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ RARA P10276 1/20 0.34

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
SCHEMBL12038822 0.91 PDK2 (0.42) SLC6A2SLC6A4SLC6A3PDK2RARA
SCHEMBL25661920 0.83 PDK2 (0.48) PDK2
SCHEMBL10068658 0.83 CYP1A2 (0.53) SLC6A2SLC6A4SLC6A3PDK2HSD17B1
SCHEMBL464575 0.83 CYP1A2 (0.53) SLC6A2SLC6A4SLC6A3PDK2HSD17B1
SCHEMBL12306553 0.83 MAOA (0.48) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL9916949 0.83 PDK2 (0.43) PDK2
SCHEMBL12865719 0.81 HSD17B1 (0.53) SLC6A2SLC6A4SLC6A3PDK2HSD17B1
SCHEMBL431835 0.81 PDK2 (0.45) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL464556 0.80 PDK2 (0.53) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL10295956 0.80 CA1 (0.33) PDK2

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-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 — — US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 — — 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-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF SLC6A2 1621/4885SLC6A4 2792/4885SLC6A3 1724/4885

“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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