SCHEMBL3375956

SCHEMBL3375956

CCN(Cc1ccccc1)[C]1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CNR2 P34972 8/20 0.55
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MGLL Q99685 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
LMNA P02545 3/20 0.42
AOC3 Q16853 1/20 0.41
CNR1 P21554 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3371521 0.92 TSHR (0.64) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL3373133 0.88 TSHR (0.47) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL23064545 0.86 TSHR (0.45) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL3376641 0.85 TSHR (0.47) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL3373701 0.82 NR1H2 (0.48) TSHRCNR2CYP2C19ALDH1A1NR1H2
SCHEMBL3376961 0.79 TSHR (0.50) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL3373915 0.77 TSHR (0.50) TSHRCNR2CYP2C19ALDH1A1MGLL
SCHEMBL3374401 0.76 TSHR (0.52) TSHRALDH1A1LMNAAOC3KDM4E
SCHEMBL4407628 0.75 TSHR (0.91) TSHRCNR2CYP2C19ALDH1A1NR1H2
SCHEMBL179996 0.75 TSHR (1.00) TSHRCNR2CYP2C19ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TSHR 1622/4885CNR2 2433/4885CYP2C19 1060/4885

“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.