SCHEMBL18740431

SCHEMBL18740431

c1ccc2c(c1)ccc1cc3occc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ CYP2A6 P11509 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ HPRT1 P00492 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAOA P21397 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GPR84 Q9NQS5 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
SCHEMBL12278698 0.84 CYP2A6 (0.47) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
SCHEMBL19683424 0.80 CYP2A6 (0.44) HSD17B10CYP1B1CYP2A6PTPN1CYP1A2
Phenanthrene SCHEMBL28449219 0.79 TDP1 (0.55) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
SCHEMBL361764 0.79 CYP2A6 (0.50) HSD17B10CYP2A6TDP1PTPN1MAOA
Dibenz[A,H]Anthracene SCHEMBL156100 0.78 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
Dibenz[A,H]Anthracene SCHEMBL29392838 0.78 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
SCHEMBL4856624 0.78 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
Dibenz[A,H]Anthracene SCHEMBL29777008 0.78 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6
SCHEMBL14232041 0.77 CYP2A6 (0.48) HSD17B10ALDH1A1HIF1ACYP2A6TDP1
Chrysene SCHEMBL28933343 0.76 HPRT1 (0.58) HSD17B10ALDH1A1CYP1B1HIF1ACYP2A6

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
CN-118307501-A Dihydrophenanthropyrrole compound, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-07-09 — — CN disclosed
CN-117143089-A Organic electroluminescent compound and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-12-01 — — CN disclosed
CN-108137564-B Organic electroluminescent compound and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-09-22 — — CN disclosed
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-12-13 — — US disclosed
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-04-02 — — US disclosed
US-20180351113-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-12-06 — — US disclosed
WO-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 — — 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-20180351113-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA HSD17B10 3784/4885ALDH1A1 2484/4885CYP1B1 4527/4885
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same VDAC1, VDAC2, VAPA HSD17B10 3784/4885ALDH1A1 2484/4885CYP1B1 4527/4885
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA HSD17B10 3784/4885ALDH1A1 2484/4885CYP1B1 4527/4885

“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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