SCHEMBL19998396

SCHEMBL19998396

CP(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 2/20 0.33
HTR1D P28221 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
HTR1B P28222 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
SCHEMBL19998406 0.87 POLB (0.39) GABRA1GABRB2POLBRXRARXRB
SCHEMBL93161 0.78 GABRA1 (0.69) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL1305213 0.76 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL2225542 0.76 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL1305235 0.76 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL16694547 0.76 GABRA1 (0.46) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL2227681 0.76 CES2 (0.41) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL10394690 0.75 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10415675 0.75 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL29670257 0.74 GABRA1 (0.44) GABRA1GABRB2POLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392451-B2 Ligand compound, organic chromium compound, catalyst system for olefin oligomerization, and method for oligomerizing olefins using the same thereof LG CHEM, LTD. (KR) 2019-08-27 US disclosed
US-20180086860-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG CHEM, LTD. (KR) 2018-03-29 US disclosed
US-20180086860-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG CHEM, LTD. (KR) 2018-03-29 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-20180086860-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME OXER1, OSTC, ORC3 GABRA1 2334/4885GABRB2 2803/4885POLB 2785/4885
US-10392451-B2 Ligand compound, organic chromium compound, catalyst system for olefin oligomerization, and method for oligomerizing olefins using the same thereof OXER1, OSTC, ORC3 GABRA1 2248/4885GABRB2 2744/4885POLB 2540/4885

“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.