SCHEMBL23854444

SCHEMBL23854444

CC(C)(C)c1ccccc1-c1nc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PTGS2 P35354 3/20 0.50
▸ TOP2A P11388 1/20 0.50
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ TP53 P04637 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ KDM6B O15054 1/20 0.49
▸ KDM6A O15550 1/20 0.49

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
SCHEMBL24292359 0.83 C1R (0.64) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL171055 0.82 TOP2A (0.62) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL29504749 0.82 TOP2A (0.62) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL12854009 0.80 TOP2A (0.60) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL7243710 0.78 C1R (0.74) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL27269424 0.78 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL29531707 0.78 NPC1 (0.69) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL824375 0.78 NPC1 (0.69) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL4159029 0.77 NPC1 (0.67) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL12794310 0.77 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTUSP2

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-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 — — US disclosed
US-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-09-30 — — US disclosed
CN-1154852-C Self-scintillating sheet material for radioactive species analysis 3M 2004-06-23 — — CN disclosed
CN-1279767-A Self-scintillating sheet material for radioactive species analysis MINNESOTA MINING & MFG (US) 2001-01-10 — — CN 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 (2 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-20210300877-A1 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES PPARG, PPARA, PPARD ALDH1A1 1659/4885KDM4E 2901/4885HPGD 1603/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR ALDH1A1 1920/4885KDM4E 3486/4885HPGD 370/4885

“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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