SCHEMBL1597650

SCHEMBL1597650

COc1cc(OC)c(-c2cccc(C(=O)Cl)c2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CNR2 P34972 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
POLB P06746 1/20 0.43
ERN1 O75460 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41

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
SCHEMBL12553325 0.88 CNR2 (0.50) CNR2ERN1
SCHEMBL12581548 0.86 LMNA (0.61) LMNACNR2ERN1
SCHEMBL5433882 0.85 FFAR1 (0.47) LMNACES2CES1HPGDTSHR
SCHEMBL4174720 0.83 CYP1A1 (0.61) LMNACES2CES1CYP1A2CYP3A4
SCHEMBL4167549 0.82 CYP1A2 (0.67) LMNACES2CES1CYP1A2CYP3A4
SCHEMBL16712927 0.81 HSD17B2 (0.60) LMNACES2CES1CYP1A2CYP3A4
SCHEMBL12581547 0.80 NPC1 (0.56) POLBHPGDTSHRHSD17B2MAPK1
SCHEMBL10316380 0.78 CYP1A2 (0.54) CYP1A2CYP3A4POLBERN1TSHR
SCHEMBL29626810 0.77 CES2 (0.71) CES2CES1TSHRPARP1ABCG2
SCHEMBL24402 0.77 CES2 (0.71) CES2CES1TSHRPARP1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461207-B2 Phloroglucinol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-06-11 US disclosed
US-8461207-B2 Phloroglucinol derivatives having selectin ligand activity REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-06-11 US disclosed
US-8278356-B2 2012-10-02 US disclosed
US-8278356-B2 2012-10-02 US disclosed
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-16 US disclosed
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-16 US disclosed
US-7919532-B2 Chronic onstructive pulmonary disease; adult respiratory distress syndrome; antiinflammatory agents; skin disorders; autoimmune diseases; multiple sclerosis; antihistamines; inflammatory bowel disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-7919532-B2 Chronic onstructive pulmonary disease; adult respiratory distress syndrome; antiinflammatory agents; skin disorders; autoimmune diseases; multiple sclerosis; antihistamines; inflammatory bowel disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-7919532-B2 Chronic onstructive pulmonary disease; adult respiratory distress syndrome; antiinflammatory agents; skin disorders; autoimmune diseases; multiple sclerosis; antihistamines; inflammatory bowel disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-20080207741-A1 Novel Hydroxylated Aromatic Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080207741-A1 Novel Hydroxylated Aromatic Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
US-20080207741-A1 Novel Hydroxylated Aromatic Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
EP-1937237-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY Revotar Biopharmaceuticals AG (DE) 2008-07-02 EP disclosed
WO-2007039112-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed
WO-2007039112-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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 (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-20080207741-A1 Novel Hydroxylated Aromatic Compounds SELP, SELL, SELE LMNA 1265/4885CNR2 2642/4885CES2 244/4885
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY SELPLG, SELP, SELL LMNA 2533/4885CNR2 3666/4885CES2 537/4885

“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.