SCHEMBL16067720

SCHEMBL16067720

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5oc6c7ccccc7c7ccccc7c6c5c4)c3)c3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PLA2G2A P14555 4/20 0.38
PLA2G4A P47712 4/20 0.38
PLA2G10 O15496 1/20 0.38
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
PGR P06401 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
AHR P35869 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL16067590 1.00 HSD17B1 (0.38) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10
SCHEMBL16067659 1.00 HSD17B1 (0.38) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10
SCHEMBL16067662 0.97 PLA2G2A (0.36) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10
SCHEMBL23502288 0.95 CYP1A1 (0.37) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10
SCHEMBL16067763 0.95 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2CYP2C9CYP2C19
SCHEMBL19108765 0.94 PLA2G2A (0.38) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10
SCHEMBL17944112 0.94 ESR1 (0.37) HSD17B1HSD17B2PLA2G2APLA2G4ACYP1A1
SCHEMBL16067805 0.94 CYP1A1 (0.39) HSD17B1HSD17B2PLA2G2APLA2G4ACYP1A1
SCHEMBL16067671 0.94 ESR1 (0.37) HSD17B1HSD17B2PLA2G2APLA2G4ACYP1A1
SCHEMBL17931951 0.93 CYP1A1 (0.37) HSD17B1HSD17B2PLA2G2APLA2G4APLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 US disclosed
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 EP disclosed
WO-2014141725-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 (JP) 2014-09-18 WO 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 (3 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 HSD17B1 974/4885HSD17B2 1373/4885PLA2G2A 2960/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM HSD17B1 1998/4885HSD17B2 1957/4885PLA2G2A 1281/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM HSD17B1 1998/4885HSD17B2 1957/4885PLA2G2A 1281/4885

“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.