SCHEMBL1373429

SCHEMBL1373429

Brc1cc2ccc3ccccc3c2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ TSHR P16473 2/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A2 P05177 4/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ AHR P35869 1/20 0.45
▸ HPGD P15428 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPRT1 P00492 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL10025826 0.87 ALDH1A1 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL1373855 0.86 CYP2D6 (0.43) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL30562832 0.84 CYP2A6 (0.42) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL1373386 0.83 ALDH1A1 (0.56) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL31634572 0.83 ALDH1A1 (0.56) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL8197289 0.82 CYP1A2 (0.50) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL12273631 0.81 CYP2A6 (0.44) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL9171745 0.81 HSD17B10 (0.60) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL31541869 0.81 HSD17B10 (0.54) HSD17B10ALDH1A1HIF1ACYP1B1TSHR
SCHEMBL12214809 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1HIF1ACYP1B1TSHR

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 — — US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 — — US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 — — US disclosed
EP-2524913-B1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2017-07-26 — — EP disclosed
EP-3192789-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2017-07-19 — — EP disclosed
US-9614159-B2 Benzophenanthrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 — — US disclosed
US-9614159-B2 Benzophenanthrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 — — US disclosed
US-9614159-B2 Benzophenanthrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 — — US disclosed
US-20160268517-A1 BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-15 — — US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-24 — — US disclosed
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 — — US disclosed
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 — — US disclosed
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. 2010-12-23 — — US disclosed
EP-2218706-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-18 — — EP disclosed
EP-2218706-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2010-08-18 — — EP disclosed
WO-2010083869-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — WO disclosed
WO-2010083869-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — 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-20110288292-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES DDT, DDC, BMI1 HSD17B10 1453/4885ALDH1A1 356/4885HIF1A 4126/4885
US-20160268517-A1 BISCARBAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, CCNT1, CCNA1 HSD17B10 2629/4885ALDH1A1 71/4885HIF1A 2586/4885
US-20100320452-A1 BENZOPHENANTHRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME NRAS, RSU1, RAP1A HSD17B10 4533/4885ALDH1A1 436/4885HIF1A 2539/4885

“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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