SCHEMBL19831358

SCHEMBL19831358

In1c2ccc3ccccc3c2c2c3ccccc3ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP2A6 P11509 5/20 0.48
▸ TSHR P16473 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HPRT1 P00492 1/20 0.44
▸ HPGD P15428 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYP1A2 P05177 4/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.37
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL18435854 0.90 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL23468713 0.85 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL19832049 0.85 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL23776254 0.78 HPGD (0.32) HSD17B10ALDH1A1TSHRTDP1HPRT1
SCHEMBL19545508 0.77 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL10023491 0.77 GPR3 (0.52) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL30772964 0.77 GPR3 (0.52) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL22186748 0.75 TSHR (0.35) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL13086954 0.74 ATM (0.56) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL17127066 0.74 HSD17B10 (0.44) HSD17B10ALDH1A1CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220173325-A1 LIGHT EMITTING DIODE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-02 — — US disclosed
US-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-12-21 — — US disclosed
US-10749119-B2 Plurality of host materials and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2020-08-18 — — US disclosed
US-20180033975-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2018-02-01 — — 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 (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-10749119-B2 Plurality of host materials and organic electroluminescent device comprising the same SOD1, L3MBTL4, TELO2 HSD17B10 4584/4885ALDH1A1 1987/4885CYP2A6 4378/4885
US-20180033975-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SOD1, TELO2, L3MBTL4 HSD17B10 4660/4885ALDH1A1 1915/4885CYP2A6 4246/4885
US-11205755-B2 Compound for organic electronic element, organic electronic element using same, and electronic device thereof PIEZO1, OR51E2, ORAI2 HSD17B10 4163/4885ALDH1A1 2676/4885CYP2A6 2291/4885

“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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