SCHEMBL21296879

SCHEMBL21296879

COc1cc(OC)cc(-c2ccc(O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 1.00
ABCB1 P08183 7/20 1.00
BCR P11274 7/20 1.00
ESR2 Q92731 1/20 0.71
NPC1 O15118 2/20 0.63
MAPK1 P28482 2/20 0.63
RAB9A P51151 2/20 0.63
TP53 P04637 1/20 0.63
CASP3 P42574 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
RXRA P19793 1/20 0.60
CYP1A1 P04798 2/20 0.57
CYP1B1 Q16678 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
TTR P02766 1/20 0.57
ALOX5 P09917 1/20 0.57

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
SCHEMBL29771944 0.91 ABL1 (0.84) ABL1ABCB1BCRESR2NPC1
SCHEMBL26731305 0.91 ABL1 (0.84) ABL1ABCB1BCRESR2NPC1
SCHEMBL20060981 0.86 ESR2 (0.86) ABL1ABCB1BCRESR2NPC1
SCHEMBL20060980 0.86 ESR2 (0.86) ABL1ABCB1BCRESR2NPC1
SCHEMBL1341494 0.83 ESR2 (1.00) ABL1ABCB1BCRESR2NPC1
SCHEMBL2274524 0.83 ABL1 (0.79) ABL1ABCB1BCRESR2NPC1
SCHEMBL15599404 0.83 ESR2 (1.00) ABL1ABCB1BCRESR2NPC1
SCHEMBL28162733 0.81 ESR2 (0.95) ABL1ABCB1BCRESR2NPC1
Ethane SCHEMBL27670651 0.81 ABL1 (0.76) ABL1ABCB1BCRESR2NPC1
Water SCHEMBL27689515 0.81 ABL1 (0.76) ABL1ABCB1BCRESR2NPC1

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
CN-107830520-A A kind of burning-point burner 徐州工程学院 2018-03-23 CN claimed
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
CN-108250174-A Naphtho-pyrans compounds and preparation method thereof 中国科学院兰州化学物理研究所苏州研究院 2018-07-06 CN disclosed
CN-107830520-A A kind of burning-point burner 徐州工程学院 2018-03-23 CN disclosed
CN-106999382-A Hair deformation process agent 花王株式会社 2017-08-01 CN disclosed
CN-106866018-A A kind of air entrained concrete activity excitant and preparation method thereof 徐州工程学院 2017-06-20 CN disclosed
CN-104334326-B Use the joint product that the adhesive composition containing tannin and the Louis acid catalysis of multifunctional aldehyde manufactures 佐治亚-太平洋化工品有限公司 2016-12-28 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX ABL1 3986/4885ABCB1 2152/4885BCR 4193/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX ABL1 3986/4885ABCB1 2152/4885BCR 4193/4885

“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.