SCHEMBL5401185

SCHEMBL5401185

c1ccc(-c2cc(C3CCCCC3)nc3c2ccc2c(-c4ccccc4)cc(C4CCCCC4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL10295457 0.98 ALDH1A1 (0.47) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL29559312 0.91 ADORA1 (0.41) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL28716830 0.91 ADORA1 (0.41) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL24162456 0.86 ADORA3 (0.38) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL14560680 0.85 ALDH1A1 (0.47) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL20855330 0.84 TDP1 (0.54) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL14560685 0.83 ALDH1A1 (0.38) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL14560724 0.82 PTGS2 (0.44) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL13376977 0.82 DHODH (0.55) ADORA1ADORA3ADORA2BADORA2AALDH1A1
SCHEMBL10295465 0.81 CTSS (0.46) ADORA1ADORA3ADORA2BADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114277389-B Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2023-09-19 — — CN disclosed
CN-114277389-A Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2022-04-05 — — CN disclosed
EP-1097980-B1 Bathophenanthroline compound and process for preparing same SONY CORP (JP) 2012-07-04 — — EP disclosed
EP-1097981-B1 Organic electroluminescent device SONY CORP (JP) 2010-04-14 — — EP disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 — — US disclosed
US-6972334-B1 Bathophenathroline compound and process for preparing same SONY CORPORATION (JP) 2005-12-06 — — US disclosed
US-20050154208-A1 Device utilizing bathophenanthroline compound and process for preparing same SHIBANUMA TETSUO (JP) 2005-07-14 — — US disclosed
EP-1097980-A2 Bathophenanthroline compound and process for preparing same SONY CORPORATION (JP) 2001-05-09 — — EP 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-20050154208-A1 Device utilizing bathophenanthroline compound and process for preparing same BZW1, BZW2, AHR ADORA1 1098/4885ADORA3 2788/4885ADORA2B 1725/4885

“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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