SCHEMBL29378455

SCHEMBL29378455

c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.71
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 3/20 0.68
GPR3 P46089 2/20 0.68
GABRP O00591 2/20 0.68
GABRD O14764 2/20 0.68
GABRA1 P14867 2/20 0.68
GABRB1 P18505 2/20 0.68
GABRG2 P18507 2/20 0.68
GABRB3 P28472 2/20 0.68
GABRA5 P31644 2/20 0.68
GABRA3 P34903 2/20 0.68
GABRA2 P47869 2/20 0.68
GABRB2 P47870 2/20 0.68
GABRA4 P48169 2/20 0.68
GABRE P78334 2/20 0.68
GABRA6 Q16445 2/20 0.68
GABRG1 Q8N1C3 2/20 0.68
GABRG3 Q99928 2/20 0.68
GABRQ Q9UN88 2/20 0.68

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
SCHEMBL191347 1.00 KIF11 (0.71) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL13563976 0.94 KIF11 (0.78) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL4515369 0.88 ALDH1A1 (0.67) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL14552258 0.87 ALDH1A1 (0.68) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL8795566 0.85 ALDH1A1 (0.56) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL30324458 0.85 GABRP (0.70) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL18435754 0.85 GABRP (0.70) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL70791 0.84 KIF11 (1.00) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL15055559 0.84 KIF11 (0.70) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL31126658 0.84 KIF11 (0.70) KIF11ALDH1A1HSD17B10GPR3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025643-A1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2022-07-13 EP claimed
US-20240389456-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2024-11-21 US disclosed
US-20240114783-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2024-04-04 US disclosed
WO-2023287026-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-01-19 WO disclosed
US-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION LG CHEM, LTD. (KR) 2023-01-19 US disclosed
EP-4025643-A1 THERMOPLASTIC MOLDING COMPOSITIONS THAT RESIST HEAT BASF SE (DE) 2022-07-13 EP disclosed
WO-2022045838-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION 주식회사 엘지화학 2022-03-03 WO disclosed
WO-2022031033-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-02-10 WO disclosed
WO-2022031036-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2022-02-10 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-20230018666-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND, AND DEUTERATED REACTIVE COMPOSITION AHR, TYR, ARNT KIF11 946/4885ALDH1A1 3703/4885HSD17B10 2076/4885
US-20240114783-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, LEF1, CRY2 KIF11 1378/4885ALDH1A1 11/4885HSD17B10 1533/4885
US-20240389456-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE OR10J3, ODC1, OR51E2 KIF11 2382/4885ALDH1A1 65/4885HSD17B10 745/4885

“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.