SCHEMBL7937175

SCHEMBL7937175

Cc1cc(C)cc(C(=O)c2cc(C)cc(C)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.65
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.52
HCAR1 Q9BXC0 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
C1S P09871 1/20 0.48
PRSS3 P35030 1/20 0.48
HPGD P15428 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SRD5A2 P31213 1/20 0.44
PARP1 P09874 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL133987 0.97 TPMT (0.62) TPMTALDH1A1LMNAHCAR1PRSS1
SCHEMBL11947078 0.92 LMNA (0.67) TPMTALDH1A1LMNAHPGDRXRA
SCHEMBL12792084 0.87 ALDH1A1 (0.76) TPMTALDH1A1LMNAHPGDRXRA
SCHEMBL7194390 0.87 ALDH1A1 (0.57) TPMTALDH1A1LMNAHCAR1PRSS1
SCHEMBL21887693 0.87 TPMT (0.81) TPMTALDH1A1LMNAHCAR1HPGD
SCHEMBL12409035 0.87 ALDH1A1 (0.76) TPMTALDH1A1LMNAHPGDRXRA
SCHEMBL14286947 0.85 ALDH1A1 (0.64) TPMTALDH1A1LMNAHPGDSRD5A2
SCHEMBL11609313 0.84 TPMT (0.54) TPMTALDH1A1LMNAHCAR1PRSS1
SCHEMBL134238 0.84 RXRA (0.54) TPMTALDH1A1LMNAHCAR1PRSS1
SCHEMBL11615210 0.83 PARP1 (0.61) LMNAHPGDPARP1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057559-A Preparation method of diaryl ketone 中南民族大学 2022-02-18 CN disclosed
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 US disclosed
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 US disclosed
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 US disclosed
US-20160093812-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-03-31 US disclosed
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2016-03-17 US disclosed
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2016-03-17 US disclosed
US-9278488-B2 Polyamic acid polymer composite and preparation method thereof LG CHEM, LTD. (KR) 2016-03-08 US disclosed
EP-2986375-A2 CATALYSTS, LIGANDS AND USE THEREOF Isis Innovation Limited (GB) 2016-02-24 EP disclosed
US-20140316074-A1 POLYAMIC ACID POLYMER COMPOSITE AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2014-10-23 US disclosed
EP-0986557-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-14 EP disclosed
EP-0986557-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
EP-0986550-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-03-22 EP disclosed
WO-1998055479-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055470-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed
US-4042587-A PESTICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-08-16 US 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-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF SPR, SQOR, COASY TPMT 1691/4885ALDH1A1 1077/4885LMNA 3379/4885

“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.