SCHEMBL1864447

SCHEMBL1864447

c1ccc2c(c1)c1ccccc1c1c[nH]cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GPR3 P46089 3/20 0.40
HPRT1 P00492 1/20 0.40
GPR84 Q9NQS5 2/20 0.37
CYP2A6 P11509 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 4/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.36
PARP1 P09874 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
TNKS O95271 2/20 0.36
PARP15 Q460N3 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 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
SCHEMBL31057998 1.00 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3HPRT1GPR84
SCHEMBL12270373 0.88 ALDH1A1 (0.42) ALDH1A1HSD17B10GPR3HPRT1GPR84
Triphenylene SCHEMBL29363356 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
Triphenylene SCHEMBL29698924 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
SCHEMBL14244664 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
SCHEMBL31467394 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
SCHEMBL30977781 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
SCHEMBL1006251 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
Triphenylene SCHEMBL25597 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6
Triphenylene SCHEMBL311118 0.76 HPRT1 (0.57) ALDH1A1HSD17B10GPR3HPRT1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240315134-A1 LIGHT EMITTING DEVICE AND FUSED POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-09-19 US disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
CN-104225595-B A kind of breast cancer diagnosis and treatment Integral rice corpuscles and preparation method thereof 南京大学 2018-12-21 CN disclosed
US-9517977-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
CN-104225595-A Nanoparticle for integration of breast cancer diagnosis and treatment and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2014-12-24 CN disclosed
US-20120211701-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-23 US disclosed
WO-2011050888-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-05 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 (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-20120211701-A1 MATERIALS FOR ELECTRONIC DEVICES XPOT, ETV6, ERCC1 ALDH1A1 106/4885HSD17B10 3009/4885GPR3 3719/4885
US-20240315134-A1 LIGHT EMITTING DEVICE AND FUSED POLYCYCLIC COMPOUND FOR THE SAME LAGE3, NBAS, NR2E3 ALDH1A1 2409/4885HSD17B10 3663/4885GPR3 3054/4885

“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.