SCHEMBL2995452

SCHEMBL2995452

Cc1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.74
KMO O15229 1/20 0.61
AKR1C3 P42330 2/20 0.60
AKR1C2 P52895 2/20 0.60
MCL1 Q07820 1/20 0.57
FFAR1 O14842 1/20 0.56
PTGER1 P34995 1/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FOLH1 Q04609 1/20 0.50
SMYD2 Q9NRG4 1/20 0.49
S1PR4 O95977 1/20 0.49
TYMS P04818 1/20 0.49
DDT P30046 1/20 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
SCHEMBL3201162 0.88 NR1H4 (0.59) NR1H4KMOAKR1C3AKR1C2FFAR1
SCHEMBL27959627 0.88 NR1H4 (0.59) NR1H4KMOAKR1C3AKR1C2MCL1
SCHEMBL28452076 0.88 NR1H4 (0.59) NR1H4AKR1C3AKR1C2MCL1FFAR1
Benzoic Acid SCHEMBL27717757 0.87 NR1H4 (0.57) NR1H4KMOMCL1FFAR1RXRA
SCHEMBL30259065 0.87 KMO (0.73) NR1H4KMOPTGER1RXRARXRB
SCHEMBL2213546 0.87 KMO (0.73) NR1H4KMOPTGER1RXRARXRB
SCHEMBL23581248 0.86 NR1H4 (0.58) NR1H4KMOAKR1C3AKR1C2PTGER1
Hydrochloric Acid SCHEMBL3852306 0.86 NR1H4 (0.58) NR1H4KMOAKR1C3AKR1C2FFAR1
SCHEMBL6252539 0.86 AKR1C3 (0.68) NR1H4KMOAKR1C3AKR1C2RXRA
SCHEMBL28719966 0.85 NR1H4 (0.56) NR1H4KMOAKR1C3AKR1C2MCL1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
US-10287230-B2 Selective aerobic oxidation of dimethylbiphenyls EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-05-14 US disclosed
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-09-25 US disclosed
US-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-06-28 US disclosed
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC 2018-01-25 US disclosed
US-9815767-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-14 US disclosed
US-9534104-B2 Plasticizer blends and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-01-03 US disclosed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-18 US disclosed
US-9321898-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 US disclosed
EP-0520404-A1 Transparent recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1992-12-30 EP disclosed
EP-0063374-B1 SUBSTITUTED BIPHENYL COMPOUNDS FMC Corporation (US) 1984-02-22 EP disclosed
US-4402973-A Insecticidal (1,1'-biphenyl)-3-ylmethyl esters FMC CORPORATION (US) 1983-09-06 US disclosed
EP-0063374-A1 Substituted biphenyl compounds FMC Corporation (US) 1982-10-27 EP disclosed
US-4329518-A INSECTICIDES, ACARICIDES, MITICIDES FMC CORPORATION (US) 1982-05-11 US disclosed
EP-0049977-A1 Insecticidal (1,1'-biphenyl)-3-ylmethyl esters, their production and use and compositions containing them FMC Corporation (US) 1982-04-21 EP disclosed
EP-0020685-A4 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-07-16 EP disclosed
EP-0020685-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-01-07 EP disclosed
US-4214004-A MITICIDES FMC CORPORATION (US) 1980-07-22 US disclosed
WO-1980001163-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED(1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC CORP (US) 1980-06-12 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 (6 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-20180179141-A1 SELECTIVE AEROBIC OXIDATION OF DIMETHYLBIPHENYLS CYP1B1, MSMO1, CYP1A1 NR1H4 2379/4885KMO 84/4885AKR1C3 454/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A NR1H4 1169/4885KMO 505/4885AKR1C3 19/4885
US-10287230-B2 Selective aerobic oxidation of dimethylbiphenyls CYP1B1, MSMO1, CYP1A1 NR1H4 2379/4885KMO 84/4885AKR1C3 454/4885
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers ALKBH3, AHR, ADH1A NR1H4 1169/4885KMO 505/4885AKR1C3 19/4885
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A NR1H4 1169/4885KMO 505/4885AKR1C3 19/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS NR1H4 2863/4885KMO 1212/4885AKR1C3 1571/4885

“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.