SCHEMBL22235440

SCHEMBL22235440

COc1nc2c(c3ccccc13)CC(C(C)(C)C)c1cc(C(=O)O)c(=O)[nH]c1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ DHODH Q02127 2/20 0.31
▸ TNKS O95271 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ CDC25B P30305 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL22235484 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL22235323 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL29728936 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL29728940 0.92 PDK2 (0.35) ALDH1A1KDM4EGAATNKSTNKS2
SCHEMBL22235398 0.92 PDK2 (0.35) ALDH1A1KDM4EGAATNKSTNKS2
SCHEMBL22235514 0.80 GABRA1 (0.35) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL29728904 0.80 GABRA1 (0.35) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL22235343 0.80 GABRA1 (0.35) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL22235409 0.80 GABRA1 (0.35) ALDH1A1KDM4EPOLBGAAALOX15
SCHEMBL22898887 0.75 CYP2B6 (0.52) ALDH1A1KDM4EPOLBGAA

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
CN-113825756-A Substituted polycyclic carboxylic acids, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2021-12-21 — — CN claimed
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP claimed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — WO claimed
US-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-04-28 — — US disclosed
CN-113825756-A Substituted polycyclic carboxylic acids, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2021-12-21 — — 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 (1 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-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, HDGF ALDH1A1 2459/4885KDM4E 1195/4885POLB 457/4885

“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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