SCHEMBL4478034

SCHEMBL4478034

C(=Cc1ccccc1)CCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 1/20 0.43
IDO1 P14902 2/20 0.40
PAM P19021 1/20 0.40
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 3/20 0.38

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
SCHEMBL4478424 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1IDO1PAMMGLL
SCHEMBL4478027 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1IDO1PAMMGLL
SCHEMBL436302 0.81 ALDH1A1 (0.46) SIGMAR1ALDH1A1IDO1PAMMGLL
SCHEMBL11703434 0.80 SIGMAR1 (0.44) SIGMAR1ALDH1A1IDO1PAMMEN1
SCHEMBL28855009 0.78 TDP1 (0.45) SIGMAR1ALDH1A1IDO1MGLLMEN1
SCHEMBL8673109 0.77 SIGMAR1 (0.47) SIGMAR1IDO1PAMKDM4EHTR2A
SCHEMBL4488959 0.76 MAOB (0.54) MGLLMEN1KMT2ATDP1
SCHEMBL4488963 0.76 MAOB (0.54) MGLLMEN1KMT2ATDP1
SCHEMBL11701997 0.76 L3MBTL1 (0.44) SIGMAR1ALDH1A1IDO1PAMKDM4E
SCHEMBL7939387 0.75 IDO1 (0.56) SIGMAR1ALDH1A1IDO1PAMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116536799-A Large-tow PAN-based carbon fiber precursor oiling agent and preparation method thereof 东华大学 2023-08-04 CN disclosed
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
EP-1831178-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US disclosed
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 SIGMAR1 3744/4885ALDH1A1 794/4885IDO1 1667/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 SIGMAR1 3744/4885ALDH1A1 794/4885IDO1 1667/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 SIGMAR1 3744/4885ALDH1A1 794/4885IDO1 1667/4885

“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.