SCHEMBL2879749

SCHEMBL2879749

CCCCCCCCCCOCCC#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HTT P42858 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.44
CES2 O00748 2/20 0.42
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
CES1 P23141 1/20 0.38
SPHK1 Q9NYA1 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL8874932 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL28930085 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL6610765 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL6612881 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL7947857 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL26136867 1.00 TSHR (0.50) TSHRHTTTHRBMEN1KMT2A
SCHEMBL8755575 0.98 TSHR (0.52) TSHRHTTTHRBMEN1KMT2A
SCHEMBL15923516 0.91 TSHR (0.56) TSHRHTTTHRBMEN1KMT2A
SCHEMBL20377446 0.91 TSHR (0.56) TSHRHTTTHRBMEN1KMT2A
SCHEMBL9455617 0.91 TSHR (0.56) TSHRHTTTHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727944-B2 Lubricant compositions containing seal conditioning agents THE LUBRIZOL CORPORATION (US) 2010-06-01 US disclosed
US-20070298984-A1 Lubricant Compositions Containing Seal Conditioning Agents THE LUBRIZOL CORPORATION (US) 2007-12-27 US disclosed
EP-1841846-A1 ENGINE FLUSH PROCESS AND COMPOSITION The Lubrizol Corporation (an Ohio corporation) (US) 2007-10-10 EP disclosed
WO-2006060255-A1 ENGINE FLUSH PROCESS AND COMPOSITION THE LUBRIZOL CORPORATION (US) 2006-06-08 WO disclosed
US-20060116297-A1 Engine flush process and composition THE LUBRIZOL CORPORATION (US) 2006-06-01 US disclosed
WO-2006023317-A1 LUBRICANT COMPOSITIONS CONTAINING SEAL CONDITIONING AGENTS THE LUBRIZOL CORPORATION (US) 2006-03-02 WO disclosed
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5719290-A METHYLOXYUNDECYL- OR DECYLOXYETHYL-NITRILE OR TETRAZOLE DERIVATIVES; VIRICIDES G. D. SEARLE & CO. (US) 1998-02-17 US disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed
US-4491525-A Oil recovery with surfactant flooding PHILLIPS PETROLEUM COMPANY (US) 1985-01-01 US disclosed
US-4335787-A SURFACTANT SYSTEM COMPRISING A HYDROCARBON SULFONATE AND A NITRILE PHILLIPS PETROLEUM COMPANY (US) 1982-06-22 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-20070298984-A1 Lubricant Compositions Containing Seal Conditioning Agents GPX4, ALOX5, ALOX15 TSHR 4884/4885HTT 3243/4885THRB 4878/4885

“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.