SCHEMBL20021864

SCHEMBL20021864

Cc1ccc(N(C)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.44
ACHE P22303 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CES1 P23141 2/20 0.35
CNR2 P34972 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TDP1 Q9NUW8 3/20 0.35

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
SCHEMBL2574194 0.86 MEN1 (0.42) TSHRALDH1A1LMNACA12CA9
SCHEMBL20025824 0.83 CYP2C19 (0.44) TSHRALDH1A1CYP2C19ACHELMNA
SCHEMBL11729000 0.81 APP (0.39) TSHRALDH1A1HPGDOPRM1OPRK1
SCHEMBL11725710 0.81 TSHR (0.40) TSHRALDH1A1LMNAHPGDMAPT
SCHEMBL19341844 0.76 ALDH1A1 (0.46) TSHRALDH1A1LMNAHPGDMAPT
SCHEMBL17342250 0.74 ALDH1A1 (0.44) TSHRALDH1A1CYP2C19LMNAHPGD
SCHEMBL17342247 0.74 LTA4H (0.39) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL19753580 0.72 SIGMAR1 (0.40) TSHRALDH1A1ACHELMNAOPRM1
SCHEMBL23295124 0.72 ALDH1A1 (0.79) TSHRALDH1A1CYP2C19ACHELMNA
SCHEMBL3050460 0.72 TSHR (0.55) TSHRALDH1A1CYP2C19ACHELMNA

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-20180094085-A1 CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION REACTION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME LG CHEM, LTD. (KR) 2018-04-05 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-20180094085-A1 CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION REACTION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME COG7, OSTC, OXER1 TSHR 4594/4885ALDH1A1 3285/4885CYP2C19 662/4885

“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.