SCHEMBL412535

SCHEMBL412535

Oc1ccc(-c2ccc(F)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.55
ESR2 Q92731 5/20 0.55
TTR P02766 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
DHFR P00374 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LMNA P02545 1/20 0.54
ALB P02768 1/20 0.54
HMGB1 P09429 1/20 0.54
HPGD P15428 1/20 0.54
CXCL12 P48061 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
ACMSD Q8TDX5 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL9842662 0.87 ESR1 (0.66) ESR1ESR2TTRKDM4EMEN1
SCHEMBL28226426 0.86 ESR1 (0.70) ESR1ESR2HSD17B10APPCYP2C19
SCHEMBL38659424 0.86 ESR1 (0.70) ESR1ESR2HSD17B10APPCYP2C19
SCHEMBL9057929 0.86 ALDH1A1 (0.52) ESR1ESR2TTRKDM4EMEN1
SCHEMBL9858166 0.84 ESR1 (0.57) ESR1ESR2MEN1KMT2AAPP
SCHEMBL29901376 0.84 ESR1 (0.57) ESR1ESR2MEN1KMT2AAPP
SCHEMBL29319763 0.83 TTR (0.50) ESR1ESR2TTRKDM4EMEN1
SCHEMBL22688379 0.82 ESR1 (0.63) ESR1ESR2TTRKDM4EMEN1
SCHEMBL27928527 0.81 ESR1 (0.57) ESR1ESR2APPCYP2C19CYP2C9
SCHEMBL28901881 0.81 ESR1 (0.53) ESR1ESR2APPCYP2C19CYP2C9

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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110078680-A Isoxazoline benzamide compound and its preparation method and application 山东大学 2019-08-02 CN claimed
EP-0367944-A2 Ether derivative of 4-[3H] -quinazolinone, a process for the preparation thereof, and pharmaceutical compositions SPOFA spojené podniky pro zdravotnickou vyrobu (CS) 1990-05-16 EP claimed
EP-0080010-B1 NOVEL COMPOUNDS WITH ANTIINFLAMMATORY AND ANALGESIC ACTIVITY, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM AUSONIA FARMACEUTICI S.r.l. (IT) 1985-08-07 EP claimed
US-4486599-A Process for preparing the 2',4'-difluoro-4-hydroxy-(1,1'-diphenyl)-3-carboxylic acid ZAMBON S.P.A. (IT) 1984-12-04 US claimed
EP-0101625-A1 Process for preparing the 2',4'-difluoro-4-hydroxy-(1,1'-diphenyl)-3-carboxylic acid ZAMBON S.p.A. (IT) 1984-02-29 EP claimed
EP-0080011-A1 Novel compounds with antiinflammatory and analgesic activity, process for the preparation thereof and pharmaceutical compositions therefrom AUSONIA FARMACEUTICI S.r.l. (IT) 1983-06-01 EP claimed
EP-0080010-A1 Novel compounds with antiinflammatory and analgesic activity, process for the preparation thereof and pharmaceutical compositions therefrom AUSONIA FARMACEUTICI S.r.l. (IT) 1983-06-01 EP claimed
EP-0033980-A1 Derivatives of 2-methylpropionic acid, process for their preparation and pharmaceutical compositions containing them SCHIAPPARELLI FARMACEUTICI S.p.A. (IT) 1981-08-19 EP claimed
US-4225730-A Process for preparing 4-(2,4-difluorophenyl)-salicyclic acid MERCK & CO., INC. (US) 1980-09-30 US claimed
US-20230219886-A1 NOVEL SELENO-NSAID ANALOGS AND USES THEREOF THE PENN STATE RESEARCH FOUNDATION 2023-07-13 US disclosed
US-20220387345-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2022-12-08 US disclosed
US-20220119429-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2022-04-21 US disclosed
WO-2021083310-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE 深圳艾欣达伟医药科技有限公司 2021-05-06 WO disclosed
US-20210052748-A1 NOVEL COMPOUND, ANTIINFLAMMATORY DRUG COMPRISING THE COMPOUND AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING THE COMPOUND CHANG, YONG MIN (KR) 2021-02-25 US disclosed
EP-0080011-A1 Novel compounds with antiinflammatory and analgesic activity, process for the preparation thereof and pharmaceutical compositions therefrom AUSONIA FARMACEUTICI S.r.l. (IT) 1983-06-01 EP disclosed
EP-0033980-A1 Derivatives of 2-methylpropionic acid, process for their preparation and pharmaceutical compositions containing them SCHIAPPARELLI FARMACEUTICI S.p.A. (IT) 1981-08-19 EP disclosed
US-4225730-A Process for preparing 4-(2,4-difluorophenyl)-salicyclic acid MERCK & CO., INC. (US) 1980-09-30 US disclosed
US-4225730-A Process for preparing 4-(2,4-difluorophenyl)-salicyclic acid MERCK & CO., INC. (US) 1980-09-30 US disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-3992459-A BIARYL COUPLING BY DIAZOTIZATION MERCK & CO., INC. (US) 1976-11-16 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 (4 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-20210052748-A1 NOVEL COMPOUND, ANTIINFLAMMATORY DRUG COMPRISING THE COMPOUND AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING THE COMPOUND PTGS2, PTGS1, PTGES2 ESR1 3871/4885ESR2 920/4885TTR 4331/4885
US-20220119429-A1 FLUORINE-CONTAINING COMPOUND AND ANTI-CANCER MEDICAL USE THEREOF FLI1, FOLR2, FOLR1 ESR1 485/4885ESR2 303/4885TTR 4782/4885
US-20220387345-A1 ANTI-CANCER COMPOUNDS ACTING AS NON-PGP SUBSTRATE ABCB1, ABCB11, IMPA1 ESR1 1801/4885ESR2 3699/4885TTR 2527/4885
US-20230219886-A1 NOVEL SELENO-NSAID ANALOGS AND USES THEREOF SELENOI, SCLY, GPX1 ESR1 2235/4885ESR2 402/4885TTR 793/4885

“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.