SCHEMBL12772153

SCHEMBL12772153

CC(C)(C)c1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL11168946 0.88 MRGPRX4 (0.48) SMN1; SMN2RAB9AMAPTNPSR1LMNA
SCHEMBL19483249 0.85 MRGPRX4 (0.55) SMN1; SMN2RAB9AMAPTLMNAMAPK1
SCHEMBL30821972 0.84 SLC6A4 (0.56) SMN1; SMN2RAB9AMRGPRX4RXRARXRB
SCHEMBL1332170 0.84 SLC6A4 (0.56) SMN1; SMN2RAB9AMRGPRX4RXRARXRB
SCHEMBL12295554 0.84 MRGPRX4 (0.68) SMN1; SMN2RAB9AMAPTMAPK1MRGPRX4
SCHEMBL12772068 0.83 MRGPRX4 (0.52) SMN1; SMN2RAB9AMAPTMAPK1MRGPRX4
SCHEMBL16178212 0.82 RAB9A (0.51) SMN1; SMN2RAB9AMAPTLMNAMAPK1
SCHEMBL2852262 0.81 RXRA (0.44) SMN1; SMN2RAB9AMAPTNPSR1LMNA
SCHEMBL24314204 0.81 FFAR1 (0.52) RAB9AMAPTMAPK1MRGPRX4RXRA
SCHEMBL19728976 0.81 RXRA (0.71) SMN1; SMN2RAB9AMRGPRX4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF CONCERT PHARMACEUTICALS INC. (US) 2011-06-23 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885RAB9A 977/4885MAPT 2719/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885RAB9A 977/4885MAPT 2719/4885
US-20110152227-A1 DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF ADRB3, CHRM3, QDPR SMN1; SMN2 2545/4885RAB9A 3208/4885MAPT 2039/4885

“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.