SCHEMBL2761803

SCHEMBL2761803

CC(=O)Oc1cc(Br)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
CFD P00746 2/20 0.64
HSD17B10 Q99714 5/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
TSHR P16473 3/20 0.62
PTGS1 P23219 2/20 0.62
PTGS2 P35354 2/20 0.62
ESR1 P03372 2/20 0.62
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
HMGB1 P09429 1/20 0.62
GGT1 P19440 1/20 0.62
BLM P54132 1/20 0.62
NAPRT Q6XQN6 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
USP2 O75604 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL25027 0.89 CFD (0.73) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL10119527 0.87 CFD (0.51) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL18136334 0.83 CFD (0.87) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL16719151 0.82 CFD (0.88) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL342690 0.81 ALDH1A1 (0.62) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL8895553 0.81 ACHE (0.59) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL16719158 0.81 CFD (0.73) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL12205977 0.81 CFD (0.50) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL3453790 0.81 TSHR (0.58) KDM4ECFDHSD17B10ALDH1A1HPGD
SCHEMBL16719152 0.81 CFD (0.76) KDM4ECFDHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742138-B2 Compounds as hypoxia mimetics, and compositions and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-06-03 US disclosed
US-8742138-B2 Compounds as hypoxia mimetics, and compositions and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-06-03 US disclosed
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 US disclosed
US-20120172399-A1 COMPOUNDS AS HYPOXIA MIMETICS, AND COMPOSIITONS AND USES THEREOF BEIJING BETTA PHARMACEUTICALS CO., LTD. (CN) 2012-07-05 US disclosed
US-20120172399-A1 COMPOUNDS AS HYPOXIA MIMETICS, AND COMPOSIITONS AND USES THEREOF BEIJING BETTA PHARMACEUTICALS CO., LTD. (CN) 2012-07-05 US disclosed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 US disclosed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 WO disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP 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-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS HIF1AN, HIF1A, EGLN2 KDM4E 550/4885CFD 3665/4885HSD17B10 93/4885
US-20120172399-A1 COMPOUNDS AS HYPOXIA MIMETICS, AND COMPOSIITONS AND USES THEREOF HIF1AN, HIF1A, EGLN3 KDM4E 1763/4885CFD 1704/4885HSD17B10 2669/4885

“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.