SCHEMBL10312976

SCHEMBL10312976

CC(C)(C)c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.62
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
ALDH1A1 P00352 2/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47

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
SCHEMBL21765733 0.86 KIF11 (0.52) KIF11IMPDH2IMPDH1ALDH1A1GPR3
SCHEMBL725164 0.81 KIF11 (0.63) KIF11IMPDH2IMPDH1GABRPGABRD
SCHEMBL27844259 0.81 KIF11 (0.63) KIF11IMPDH2IMPDH1GABRPGABRD
SCHEMBL32668555 0.81 KIF11 (0.63) KIF11IMPDH2IMPDH1GABRPGABRD
SCHEMBL26171230 0.81 KIF11 (0.54) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29655428 0.81 KIF11 (0.63) KIF11IMPDH2IMPDH1GABRPGABRD
SCHEMBL28850267 0.81 KIF11 (0.62) KIF11IMPDH2IMPDH1ALDH1A1GPR3
SCHEMBL21981694 0.80 KIF11 (0.49) KIF11IMPDH2IMPDH1ALDH1A1GPR3
SCHEMBL31317794 0.80 KIF11 (0.49) KIF11IMPDH2IMPDH1ALDH1A1GPR3
SCHEMBL28161204 0.79 KIF11 (0.60) KIF11IMPDH2IMPDH1ALDH1A1GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772175-A Fused ring compound and application thereof 华南理工大学 2024-10-15 CN disclosed
US-11747727-B2 Chemical liquid, chemical liquid storage body, pattern forming method, and kit FUJIFILM CORPORATION (JP) 2023-09-05 US disclosed
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2020-12-29 US disclosed
CN-109053680-B Organic small-molecule photoelectric functional material based on 3-benzoylpyridine as receptor unit, and preparation method and application thereof 华南理工大学 2020-07-28 CN disclosed
CN-110891797-A Method for making lithographic printing plate 富士胶片株式会社 2020-03-17 CN disclosed
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-03-14 US disclosed
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-02-07 US disclosed
US-9951270-B2 Multicyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-9951270-B2 Multicyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-20160126473-A1 MULTICYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2016-05-05 US disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 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 (5 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-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA KIF11 3237/4885IMPDH2 2920/4885IMPDH1 2109/4885
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA KIF11 3237/4885IMPDH2 2920/4885IMPDH1 2109/4885
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases SMN1; SMN2, PARK7, SNCA KIF11 3237/4885IMPDH2 2920/4885IMPDH1 2109/4885
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES BRD9, PIR, BRD2 KIF11 3185/4885IMPDH2 1164/4885IMPDH1 1303/4885
US-20160126473-A1 MULTICYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME BMI1, ODC1, OR10J3 KIF11 1595/4885IMPDH2 2430/4885IMPDH1 2725/4885

“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.