SCHEMBL1098158

SCHEMBL1098158

COCCCOc1cc(C=O)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.67
▸ HPGD P15428 5/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ TRIM24 O15164 1/20 0.63
▸ ALDH5A1 P51649 1/20 0.63
▸ ABAT P80404 1/20 0.63
▸ TRIM33 Q9UPN9 1/20 0.63
▸ FDPS P14324 1/20 0.55
▸ CYP2C9 P11712 4/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ AOX1 Q06278 1/20 0.50
▸ MAPT P10636 7/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49

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
SCHEMBL3924101 0.93 ALDH1A1 (0.63) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL1515911 0.92 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL15952644 0.88 ALDH1A1 (0.63) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2890759 0.86 ALDH1A1 (0.73) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14323012 0.84 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL972755 0.84 ALDH1A1 (0.76) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL4855402 0.84 ALDH1A1 (0.71) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL11503669 0.83 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL14856076 0.83 ALDH1A1 (0.69) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL22160259 0.83 FDPS (0.57) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153647-B2 Aryl- and heteroaryl-ethyl-acylguanidine derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2012-04-10 — — US disclosed
EP-2035401-B1 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-02-23 — — EP disclosed
US-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-08-13 — — US disclosed
EP-2035401-A2 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS Sanofi-Aventis (FR) 2009-03-18 — — EP disclosed
WO-2007144769-A2 ARYL- AND HETEROARYL-ETHYL-ACYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-12-21 — — 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 (1 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-20090203696-A1 Aryl- and Heteroaryl-Ethyl-Acylguanidine Derivatives, Their Preparation and Their Application in Therapeutics RAB9A, UGT1A9, CD59 ALDH1A1 1212/4885HPGD 1490/4885TDP1 2913/4885

“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.

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