SCHEMBL179122

SCHEMBL179122

C1=CC2Oc3c(-c4cccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)cccc3C2C=C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.36
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GSTP1 P09211 1/20 0.32
PRKDC P78527 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOS1 Q07889 1/20 0.31
HIF1A Q16665 1/20 0.31
PIM1 P11309 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL10082723 0.99 HSD17B1 (0.35) GPR84HSD17B1HSD17B2HDAC4HDAC2
SCHEMBL4186277 0.97 HSD17B1 (0.34) GPR84HSD17B1HSD17B2HDAC4HDAC2
SCHEMBL10358175 0.97 GPR84 (0.34) GPR84HSD17B1HSD17B2HDAC4HDAC2
SCHEMBL12640765 0.94 GPR84 (0.34) GPR84HSD17B1HSD17B2HDAC4HDAC2
SCHEMBL12640760 0.94 EDNRB (0.32) GPR84HDAC4HDAC2HDAC8PIM1
SCHEMBL20365304 0.93 GPR84 (0.34) GPR84HSD17B1HSD17B2HDAC4HDAC2
SCHEMBL12640705 0.92 GPR84 (0.31) GPR84HSD17B1HSD17B2PIM1
SCHEMBL10358943 0.92
SCHEMBL179248 0.91 EDNRB (0.34) GPR84TSHR
SCHEMBL179247 0.90 EDNRB (0.35) HDAC8CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500397-A1 ORGANIC LIGHT-EMITTING MEDIUM Idemitsu Kosan Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20110042660-A1 ORGANIC LUMINESCENT MEDIUM AND ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-02-24 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-20110042660-A1 ORGANIC LUMINESCENT MEDIUM AND ORGANIC EL DEVICE AOC1, EBPL, CYBA GPR84 4202/4885HSD17B1 3829/4885HSD17B2 3647/4885

“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.