SCHEMBL20209401

SCHEMBL20209401

C1=CC2CCc3ccc4cccc1c4c32

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A1 P04798 1/20 0.31
HPGD P15428 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29352264 0.91 ADRA2A (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL50690 0.91 ADRA2A (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL30365719 0.91 ADRA2A (0.36) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
Hydrochloric Acid SCHEMBL28386300 0.89 ADRA2A (0.35) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL10490504 0.84 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL28646516 0.79 KDM4E (0.35) ALDH1A1HPGDHSD17B10
SCHEMBL417512 0.79 CYP3A4 (0.30) CYP3A4TSHR
SCHEMBL5175022 0.79
SCHEMBL8674433 0.77 CYP3A4 (0.31) CYP3A4TSHR
SCHEMBL10416022 0.76 BCHE (0.33)

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-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 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 (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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CYP1A2 2080/4885CYP2D6 3623/4885CYP2C9 2196/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CYP1A2 1760/4885CYP2D6 3516/4885CYP2C9 1771/4885

“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.