SCHEMBL2850176

SCHEMBL2850176

CC(C)P(c1ccccc1Nc1ccccc1P(C(C)C)C(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC18A2 Q05940 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CCR4 P51679 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
SCHEMBL12257142 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AL3MBTL1TP53TDP1
SCHEMBL4124328 0.86 MAPT (0.49) ALDH1A1KMT2AL3MBTL1TP53LMNA
SCHEMBL4136434 0.83 PTGS2 (0.43) ALDH1A1KMT2AALOX12RECQL
SCHEMBL30096500 0.80 TAAR1 (0.35) TP53TAAR1TDP1TSHRSLC18A2
SCHEMBL4453279 0.80 TAAR1 (0.35) TP53TAAR1TDP1TSHRSLC18A2
SCHEMBL2851891 0.73 MAPT (0.31) ALDH1A1KMT2AL3MBTL1TDP1LMNA
SCHEMBL1465604 0.72 RAPGEF4 (0.38) KMT2ALMNA
SCHEMBL4608738 0.72 LMNA (0.33) ALDH1A1KMT2AL3MBTL1MDM4TP53
SCHEMBL16632444 0.71 GABRA1 (0.36) TAAR1LMNACYP3A4TSHRSIGMAR1
SCHEMBL7561832 0.71 TSHR (0.43) ALDH1A1TAAR1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-08 US disclosed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100217023-A1 EMISSIVE MONOMERIC METAL COMPLEXES PETERS JONAS C 2010-08-26 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed
US-7683183-B2 Emissive monomeric metal complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-03-23 US disclosed
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NATIONAL SUN YAT-SEN UNIVERSITY 2009-06-25 US disclosed
US-20080064893-A1 Emissive monomeric metal complexes CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-03-13 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 (4 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-20100217023-A1 EMISSIVE MONOMERIC METAL COMPLEXES MAL2, AP3M1, AP2M1 ALDH1A1 2590/4885KMT2A 1763/4885L3MBTL1 58/4885
US-20090163740-A1 LIGANDS FOR METALS AS CATALYSTS FOR CARBON-CARBON BOND FORMATION NCOR2, OXGR1, NCOR1 ALDH1A1 2127/4885KMT2A 2700/4885L3MBTL1 3203/4885
US-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM ALDH1A1 680/4885KMT2A 168/4885L3MBTL1 47/4885
US-20080064893-A1 Emissive monomeric metal complexes MAL2, AP3M1, AP2M1 ALDH1A1 2590/4885KMT2A 1763/4885L3MBTL1 58/4885

“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.