SCHEMBL1844840

SCHEMBL1844840

[c]1cccc2c1[nH]c1cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 10/20 0.58
GABRA1 P14867 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
IKBKB O14920 1/20 0.58
AURKA O14965 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PIM1 P11309 1/20 0.58
TOP1 P11387 1/20 0.58
IDO1 P14902 1/20 0.58
HPGD P15428 1/20 0.58
GABRB1 P18505 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58

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
SCHEMBL10375391 0.86 ACHE (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL5030 0.77 ALDH1A1 (0.54) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL496747 0.76 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
Ammonia Solution, Strong SCHEMBL29143440 0.76 ALDH1A1 (0.52) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL28379563 0.76 ALDH1A1 (0.52) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL28458247 0.76 ALDH1A1 (0.52) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL28756926 0.76 ALDH1A1 (0.52) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL26678217 0.76 ALDH1A1 (0.52) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL12396541 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322777 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
EP-1834956-B1 METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO (JP) 2011-05-18 EP disclosed
US-7846560-B2 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-12-07 US disclosed
US-7829204-B2 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-09 US disclosed
US-20100277062-A1 METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 US disclosed
US-7781960-B2 Metal complex compound and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-08-24 US disclosed
US-7759489-B2 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2010-07-20 US disclosed
US-20100084971-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-04-08 US disclosed
US-7651791-B2 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-01-26 US disclosed
US-20070224446-A1 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2007-09-27 US disclosed
EP-1834956-A1 METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-09-19 EP disclosed
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2007-08-02 US disclosed
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 US disclosed
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070104976-A1 Material for organic electroluminescent device and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-10 US disclosed
EP-1696708-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-08-30 EP disclosed
US-20060163542-A1 Metal-complex compound and organic electroluminescence device using the compound IDEMITSU KOSAN CO., LTD. (JP) 2006-07-27 US disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 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 (5 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-20100084971-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME L1CAM, EPCAM, EML4 CHUK 4809/4885GABRA1 4007/4885GABRG2 3802/4885
US-20070135652-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, EMC1, L1CAM CHUK 2307/4885GABRA1 2126/4885GABRG2 2908/4885
US-20070176540-A1 Transition metal complex compound and organic electroluminescence device using the compound TMCO1, TIMCC, EMC2 CHUK 2704/4885GABRA1 2160/4885GABRG2 2637/4885
US-20070108891-A1 METAL-COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND EMC2, LAGE3, EPCAM CHUK 2605/4885GABRA1 2500/4885GABRG2 3290/4885
US-20100277062-A1 METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME EMC1, EMC2, AP1M1 CHUK 2228/4885GABRA1 2953/4885GABRG2 3214/4885

“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.