SCHEMBL3752947

SCHEMBL3752947

COc1cccc(-c2ccc(C=O)c(Oc3ccccc3Cl)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
PDCD1LG2 Q9BQ51 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
ELANE P08246 1/20 0.38
KDM1A O60341 1/20 0.38
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KMO O15229 1/20 0.36
AMY1A P0DUB6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35

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
SCHEMBL3749589 0.90 PDCD1LG2 (0.35) ERN1L3MBTL1LMNAPDCD1LG2CD274
SCHEMBL25459770 0.86 LMNA (0.46) L3MBTL1LMNAPDCD1LG2CD274ELANE
SCHEMBL3752506 0.85 L3MBTL1 (0.46) ERN1L3MBTL1LMNAELANEPDE2A
SCHEMBL3754331 0.84 ERN1 (0.42) ERN1L3MBTL1LMNAPDCD1LG2CD274
SCHEMBL3749452 0.83 ERN1 (0.50) ERN1L3MBTL1LMNAPDCD1LG2CD274
SCHEMBL3751988 0.81 ALDH1A1 (0.37) ERN1L3MBTL1LMNAPDCD1LG2CD274
SCHEMBL3759883 0.81 KMO (0.46) PDCD1LG2CD274PDE10AKMOALDH1A1
SCHEMBL3745420 0.80 ALDH1A1 (0.38) ERN1PDCD1LG2CD274PDE2APDE10A
SCHEMBL3747290 0.80 ALDH1A1 (0.40) ERN1L3MBTL1LMNAPDCD1LG2CD274
SCHEMBL3751743 0.80 CD274 (0.37) ERN1PDCD1LG2CD274PDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2023-05-18 US disclosed
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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 (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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ERN1 4268/4885L3MBTL1 2518/4885LMNA 571/4885
US-20230150940-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 ERN1 1494/4885L3MBTL1 3826/4885LMNA 1316/4885

“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.