SCHEMBL3375286

SCHEMBL3375286

CN(Cc1ccccc1)[C]1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ALDH1A1 P00352 2/20 0.56
AOC3 Q16853 1/20 0.52
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3374401 0.91 TSHR (0.52) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL25397829 0.90 TSHR (0.50) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL3376961 0.76 TSHR (0.50) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL642317 0.76 CRHBP (0.61) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL11881187 0.76 NR1H2 (0.62) TSHRALDH1A1AOC3CARM1PRMT6
Hydrochloric Acid SCHEMBL27388371 0.74 CRHBP (0.59) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL3371521 0.74 TSHR (0.64) TSHRALDH1A1AOC3LMNAADRA2B
Nitrogen SCHEMBL4600396 0.73 CRHBP (0.58) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL5014268 0.72 TSHR (1.00) TSHRALDH1A1AOC3CARM1PRMT6
Dibemethine SCHEMBL276863 0.72 ALDH1A1 (0.70) TSHRALDH1A1AOC3CARM1PRMT6

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 1622/4885ALDH1A1 517/4885AOC3 928/4885

“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.