SCHEMBL4839587

SCHEMBL4839587

O=C(O)NCc1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
HIF1A Q16665 2/20 0.59
CYP2D6 P10635 2/20 0.59
AKR1B1 P15121 1/20 0.57
CA12 O43570 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 5/20 0.53
PKM P14618 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MPO P05164 2/20 0.50
MAPT P10636 2/20 0.50
NOX4 Q9NPH5 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL9156343 0.87 CYP1A2 (0.55) TSHRCYP2D6KDM4EMAPTALDH1A1
SCHEMBL29935885 0.87 CYP1A2 (0.55) TSHRCYP2D6KDM4EMAPTALDH1A1
SCHEMBL2454541 0.85 AKR1B1 (0.46) TSHRHIF1ACYP2D6AKR1B1CA12
Hydrochloric Acid SCHEMBL11157053 0.85 CYP1A2 (0.53) TSHRCYP2D6KDM4EMAPTALDH1A1
SCHEMBL30695145 0.84 HIF1A (0.55) TSHRHIF1ACYP2D6AKR1B1CA12
SCHEMBL15864410 0.83 CA12 (0.72) TSHRHIF1ACYP2D6CA12CA2
SCHEMBL5723909 0.82 HPGD (0.67) TSHRHIF1ACYP2D6AKR1B1MAPT
SCHEMBL30646449 0.82 HPGD (0.67) TSHRHIF1ACYP2D6AKR1B1MAPT
SCHEMBL23805011 0.82 TSHR (0.57) TSHRHIF1ACYP2D6AKR1B1CA12
SCHEMBL4362706 0.82 TSHR (0.57) TSHRHIF1ACYP2D6AKR1B1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825294-B1 Multicomponent system for modifying, decomposing or bleaching lignin, or lignin-containing materials and method of using this system CONSORTIUM ELEKTROCHEM IND (DE) 1999-09-15 EP claimed
US-10758528-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of oxymorphone, prodrugs, methods of making and use thereof KEMPHARM, INC. (US) 2020-09-01 US disclosed
US-10463660-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of oxymorphone, prodrugs, methods of making and use thereof KEMPHARM, INC. (US) 2019-11-05 US disclosed
US-20170312270-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYMORPHONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF ALTER DOMUS (US) LLC 2017-11-02 US disclosed
US-9682076-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of oxymorphone, prodrugs, methods of making and use thereof KEMPHARM, INC. (US) 2017-06-20 US disclosed
CN-101472925-B As adenosine A2APurine derivatives of receptor agonists NOVARTIS AG 2012-06-13 CN disclosed
CN-101472925-A As adenosine A2APurine derivatives of receptor agonists NOVARTIS AG (CH) 2009-07-01 CN disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
EP-1525247-A2 COMPLEXING AGENT FOR TREATING METALLIC AND PLASTIC SURFACES BASF AKTIENGESELLSCHAFT (DE) 2005-04-27 EP disclosed
EP-1461471-A2 POLYMER DERIVATIVES FOR TREATING METALS BASF AKTIENGESELLSCHAFT (DE) 2004-09-29 EP disclosed
WO-2004001099-A2 COMPLEXING AGENT FOR TREATING METALLIC AND PLASTIC SURFACES BASF AKTIENGESELLSCHAFT (DE) 2003-12-31 WO disclosed
WO-2003056062-A2 POLYMER DERIVATIVES FOR TREATING METALS BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 WO disclosed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 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 (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-10758528-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of oxymorphone, prodrugs, methods of making and use thereof OPRM1, OPRK1, OPRD1 TSHR 1155/4885HIF1A 1238/4885CYP2D6 22/4885
US-20170312270-A1 BENZOIC ACID, BENZOIC ACID DERIVATIVES AND HETEROARYL CARBOXYLIC ACID CONJUGATES OF OXYMORPHONE, PRODRUGS, METHODS OF MAKING AND USE THEREOF OPRM1, OPRK1, OPRD1 TSHR 1155/4885HIF1A 1238/4885CYP2D6 22/4885
US-10463660-B2 Benzoic acid, benzoic acid derivatives and heteroaryl carboxylic acid conjugates of oxymorphone, prodrugs, methods of making and use thereof OPRM1, OPRK1, OPRD1 TSHR 1155/4885HIF1A 1238/4885CYP2D6 22/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 TSHR 681/4885HIF1A 2143/4885CYP2D6 2219/4885

“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.