SCHEMBL25388396

SCHEMBL25388396

Brc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1B1 Q16678 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SOS1 Q07889 1/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HPRT1 P00492 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CYP2A6 P11509 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38

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
SCHEMBL4318162 0.89 ALDH1A1 (0.58) ALDH1A1CYP1B1HSD17B10HIF1ASOS1
SCHEMBL13249089 0.87 SOS1 (0.42) ALDH1A1CYP1B1HSD17B10HIF1ASOS1
SCHEMBL31329379 0.85 ALDH1A1 (0.58) ALDH1A1CYP1B1HSD17B10HIF1ASOS1
SCHEMBL31255706 0.85 ALOX5 (0.55) ALDH1A1CYP1B1HSD17B10HIF1AMEN1
SCHEMBL3665428 0.85 ALOX5 (0.55) ALDH1A1CYP1B1HSD17B10HIF1AMEN1
SCHEMBL4875334 0.83 ESR1 (0.47) ALDH1A1CYP1B1HSD17B10HIF1ARXFP1
SCHEMBL23242765 0.83 SOS1 (0.51) ALDH1A1CYP1B1HSD17B10HIF1ASOS1
SCHEMBL29407540 0.82 ALDH1A1 (0.52) ALDH1A1CYP1B1HSD17B10HIF1AMEN1
SCHEMBL1527448 0.82 ALDH1A1 (0.52) ALDH1A1CYP1B1HSD17B10HIF1AMEN1
SCHEMBL13985501 0.81 GPR84 (0.41) ALDH1A1SOS1MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240090329-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2024-03-14 — — US disclosed
EP-4238953-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2023-09-06 — — EP disclosed
CN-116348436-A Compound, organic electroluminescent element, and electronic device 出光兴产株式会社 2023-06-27 — — CN 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-20240090329-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE LEF1, SOX18, RPS19 ALDH1A1 825/4885CYP1B1 315/4885HSD17B10 2501/4885

“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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