SCHEMBL214406

SCHEMBL214406

CCCCN=C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 3/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
PSMD14 O00487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL14196487 0.98 LMNA (0.32) TSHRCASP1LMNAKDM4ENPSR1
SCHEMBL7068794 0.91 KDM4E (0.40) TSHRCASP1LMNAKDM4ENPSR1
SCHEMBL28306475 0.91 KDM4E (0.40) TSHRCASP1LMNAKDM4ENPSR1
SCHEMBL5680306 0.85 TSHR (0.38) TSHRCASP1
SCHEMBL17053442 0.82
SCHEMBL990940 0.82 TSHR (0.39) TSHRCASP1MEN1KMT2A
SCHEMBL991643 0.82 TSHR (0.39) TSHRCASP1MEN1KMT2A
SCHEMBL7835717 0.81 FAAH (0.41) LMNANPSR1MAPTKMT2ACYP1A2
SCHEMBL991642 0.79 TSHR (0.35) TSHRCASP1MEN1KMT2A
SCHEMBL991855 0.79 TSHR (0.35) TSHRCASP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271387-B1 Process for producing 1,3-oxazolidine derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-08-07 US claimed
US-5247009-A Reacted with an imine and an acid halide, tires NIPPON ZEON CO., LTD. (JP) 1993-09-21 US claimed
US-4677153-A REACTING WITH AN ACYL HALIDE AND NIPPON ZEON CO., LTD. (JP) 1987-06-30 US claimed
JP-5255541-A None JP disclosed
US-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2012-09-13 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
EP-1026161-A1 Process for producing 1,3-oxazolidine derivatives Daicel Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
US-6045703-A Separation processes UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-04-04 US disclosed
WO-1999065873-A1 SEPARATION OF EPSILON CAPROLACTAM FROM ISOMERS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-12-23 WO disclosed
US-5312849-A Modified diene polymer, carbon black NIPPON ZEON CO., LTD. (JP) 1994-05-17 US disclosed
JP-H05255541-A MODIFIED POLYISOPRENE RUBBER COMPOSITION NIPPON ZEON CO LTD 1993-10-05 JP disclosed
US-5247009-A Reacted with an imine and an acid halide, tires NIPPON ZEON CO., LTD. (JP) 1993-09-21 US disclosed
EP-0198294-B1 METHOD FOR MODIFYING RUBBERS NIPPON ZEON CO., LTD. (JP) 1989-01-04 EP disclosed
US-4677153-A REACTING WITH AN ACYL HALIDE AND NIPPON ZEON CO., LTD. (JP) 1987-06-30 US disclosed
EP-0198294-A1 Method for modifying rubbers NIPPON ZEON CO., LTD. (JP) 1986-10-22 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 (2 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-20120232107-A1 NON-PEPTIDE ANTAGONISTS OF GASTRIN RELEASING PEPTIDE GRPR, GIPR, CCKBR TSHR 189/4885CASP1 3444/4885LMNA 4658/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R TSHR 185/4885CASP1 3228/4885LMNA 3511/4885

“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.