SCHEMBL22939799

SCHEMBL22939799

CC(C)(C)c1ccc2c(c1)sc1ccc(CC(C)(C)c3ccc4sc5ccccc5c4c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN22 Q9Y2R2 2/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN12 Q05209 1/20 0.40
KIF11 P52732 2/20 0.38
APEX1 P27695 1/20 0.38
GPR3 P46089 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL21084699 0.97 MAPT (0.41) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL26192598 0.97 MAPT (0.41) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL24817882 0.88 PTPN22 (0.37) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL24450352 0.86 PTPN7 (0.36) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL24601597 0.85 RAB9A (0.38) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL22147283 0.84 PTPN22 (0.38) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL25616570 0.84 PTPN22 (0.38) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL19866411 0.83 APEX1 (0.37) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL23318752 0.83 TNF (0.38) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL26790972 0.82 PTPN22 (0.46) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524970-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-12-13 US disclosed
US-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-11-10 US disclosed
US-20220213124-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20210062081-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-03-04 US disclosed
US-20210036231-A1 Organic Electronic Device, Display and LIghting Devices Comprising the Same NOVALED GMBH (DE) 2021-02-04 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-20220356193-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PIEZO1, SOD1, NECTIN4 ALDH1A1 533/4885MAPT 3004/4885RAB9A 1755/4885
US-11524970-B2 Nitrogen-containing compound, electronic element, and electronic device OCIAD1, OCIAD2, JUND ALDH1A1 3465/4885MAPT 1859/4885RAB9A 3162/4885
US-20220213124-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE OCIAD1, OCIAD2, JUND ALDH1A1 3465/4885MAPT 1859/4885RAB9A 3162/4885

“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.