SCHEMBL2962344

SCHEMBL2962344

COc1ccc(C=O)c(Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
GPR55 Q9Y2T6 2/20 0.51
ERN1 O75460 1/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PLA2G2A P14555 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL1347929 0.90 ALDH1A1 (0.56) LTA4HALDH1A1TRIM24TYRTRIM33
SCHEMBL20767529 0.87 LTA4H (0.53) LTA4HALDH1A1MTNR1AMTNR1BTRIM24
SCHEMBL20767500 0.83 MAOB (0.56) ERN1LMNAMEN1POLBMAPT
SCHEMBL30117588 0.82 CALM1 (0.48) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL2474493 0.81 MEN1 (0.49) ALDH1A1MTNR1AMTNR1BGPR55LMNA
SCHEMBL29414471 0.81 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL15935610 0.81 ALDH1A1 (0.61) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL3895840 0.81 FBP1 (0.50) LTA4HALDH1A1MTNR1AMTNR1BGPR55
SCHEMBL29051924 0.81 ALDH1A1 (0.52) ALDH1A1MTNR1AMTNR1BTRIM24TYR
SCHEMBL3895846 0.81 FBP1 (0.50) LTA4HALDH1A1MTNR1AMTNR1BGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2025-08-14 US disclosed
US-12269798-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2025-04-08 US disclosed
WO-2023109273-A1 METHOD FOR PREPARING ANTI-HIV DRUG ISLATRAVIR 福建瑞博奥科技有限公司 2023-06-22 WO disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
CN-107216269-B Hydroxylating phenanthroline copper complex/O2The method of catalysis oxidation alkohol and amine cross-coupling synthesizing imine 山西师范大学 2019-06-04 CN disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 WO 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 (6 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-12269798-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 LTA4H 3870/4885ALDH1A1 3322/4885MTNR1A 1932/4885
US-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 LTA4H 592/4885ALDH1A1 159/4885MTNR1A 488/4885
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 LTA4H 3870/4885ALDH1A1 3322/4885MTNR1A 1932/4885
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 LTA4H 3878/4885ALDH1A1 3289/4885MTNR1A 1834/4885
US-11028041-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 LTA4H 3878/4885ALDH1A1 3289/4885MTNR1A 1834/4885
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 LTA4H 3878/4885ALDH1A1 3289/4885MTNR1A 1834/4885

“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.