SCHEMBL16458422

SCHEMBL16458422

CC(C)(C)C(C1=CC(Cc2ccccc2)=CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
CYP2B6 P20813 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TAAR1 Q96RJ0 3/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
ATM Q13315 1/20 0.30
SLC6A2 P23975 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
SCHEMBL12815140 0.84 CYP2B6 (0.32) CYP2B6TAAR1
SCHEMBL12815028 0.84 CYP2B6 (0.35) CALM1LMNACYP2D6MAPK1HTR1D
SCHEMBL6255348 0.82 CALM1 (0.38) CALM1LMNACYP2D6HTR1DHTR1B
SCHEMBL12814497 0.82 KCNN4 (0.33) CYP2B6TAAR1
SCHEMBL12814710 0.81 CALM1 (0.37) CALM1HRH3ALDH1A1
SCHEMBL12815058 0.79 CNR1 (0.30)
SCHEMBL12816122 0.76 MAPK1 (0.32) MAPK1CYP2B6TAAR1ALDH1A1ALOX15
SCHEMBL12814840 0.75 KIF11 (0.38) CYP2D6HRH3ALDH1A1
SCHEMBL16458745 0.75 IDH1 (0.33) CALM1LMNACYP2D6HTR1DHTR1B
SCHEMBL12815462 0.74 KIF11 (0.39) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 CALM1 1570/4885LMNA 3551/4885CYP2D6 547/4885

“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.