SCHEMBL17836993

SCHEMBL17836993

CC(=O)c1ccc2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
WDR5 P61964 1/20 0.41
KCNJ11 Q14654 3/20 0.40
ABCC9 O60706 2/20 0.40
ABCC8 Q09428 2/20 0.40
KCNJ8 Q15842 2/20 0.40
LDHA P00338 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
MAOB P27338 1/20 0.38
SLC2A1 P11166 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
CXCR2 P25025 1/20 0.37

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
SCHEMBL8895421 0.89 WDR5 (0.50) HSD11B1CYP1A1CYP1B1WDR5KCNJ11
SCHEMBL254145 0.86 HDAC3 (0.48) CYP1A1CYP1B1WDR5KCNJ11ABCC9
SCHEMBL17841056 0.83 CDC25B (0.49) HPGDALDH1A1MAPTRAB9A
SCHEMBL6940112 0.80 TSHR (0.42) HSD11B1CYP1A1CYP1B1KCNJ11ABCC9
SCHEMBL7197168 0.80 ERN1 (0.44) HPGDSLC2A1ALDH1A1MAPT
SCHEMBL485270 0.80 CXCR2 (0.46) CYP1A1CYP1B1KCNJ11HTTHPGD
SCHEMBL7599032 0.79 DNMT1 (0.39) KCNJ11ABCC9ABCC8KCNJ8HTT
SCHEMBL27693456 0.79 LMNA (0.47) HTTSLC2A1ALDH1A1MAPTCXCR2
SCHEMBL2014981 0.78 KMT2A (0.42) HSD11B1KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL29428610 0.78 SLC2A1 (0.36) KCNJ11ABCC9ABCC8KCNJ8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 HSD11B1 2973/4885CYP1A1 156/4885CYP1B1 556/4885

“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.