SCHEMBL18041968

SCHEMBL18041968

Cn1c2ccccc2c2ccc(-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.68
RXRB P28702 1/20 0.68
GPR3 P46089 1/20 0.61
KIF11 P52732 1/20 0.54
MAOB P27338 1/20 0.54
HPGD P15428 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LIMK1 P53667 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL883709 1.00 RXRA (0.68) RXRARXRBGPR3KIF11MAOB
SCHEMBL17250115 0.96 RXRA (0.64) RXRARXRBGPR3KIF11MAOB
SCHEMBL19986206 0.95 RXRA (0.62) RXRARXRBGPR3KIF11MAOB
SCHEMBL22192128 0.95 RXRA (0.62) RXRARXRBGPR3KIF11MAOB
SCHEMBL10052455 0.95 RXRA (0.62) RXRARXRBGPR3KIF11MAOB
SCHEMBL20842551 0.95 RXRA (0.62) RXRARXRBGPR3KIF11MAOB
SCHEMBL16373476 0.94 GPR3 (0.70) RXRARXRBGPR3KIF11MAOB
SCHEMBL10052702 0.94 RXRA (0.59) RXRARXRBGPR3KIF11MAOB
SCHEMBL12943203 0.92 RXRA (0.63) RXRARXRBGPR3KIF11MAOB
SCHEMBL12943204 0.92 RXRA (0.63) RXRARXRBGPR3KIF11MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518756-B2 Arylation method UMICORE AG & CO. KG (DE) 2022-12-06 US claimed
EP-3383861-B1 BUCHWALD-HARTWIG ARYLATION METHOD FOR THE PREPARATION OF TERTIARY AMINES UMICORE AG & CO KG (DE) 2021-03-17 EP claimed
US-20200031803-A1 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2020-01-30 US claimed
EP-3060548-B1 MONO ARYLATION OF AROMATIC AMINES UMICORE AG & CO KG (DE) 2018-10-10 EP claimed
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP claimed
US-20160257650-A1 MONOARYLATION OF AROMATIC AMINES UMICORE AG & CO. KG (DE) 2016-09-08 US claimed
US-11518756-B2 Arylation method UMICORE AG & CO. KG (DE) 2022-12-06 US disclosed
US-20200031803-A1 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2020-01-30 US disclosed
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP disclosed
US-20160257650-A1 MONOARYLATION OF AROMATIC AMINES UMICORE AG & CO. KG (DE) 2016-09-08 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 (3 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-11518756-B2 Arylation method AHR, ARNT, CYP2B6 RXRA 331/4885RXRB 178/4885GPR3 865/4885
US-20160257650-A1 MONOARYLATION OF AROMATIC AMINES AHR, TYR, CYP1A2 RXRA 1846/4885RXRB 1203/4885GPR3 595/4885
US-20200031803-A1 ARYLATION METHOD AHR, ARNT, CYP2B6 RXRA 331/4885RXRB 178/4885GPR3 865/4885

“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.