SCHEMBL2851944

SCHEMBL2851944

CC(C)P(c1ccccc1N(c1ccccc1)c1ccccc1P(C(C)C)C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TAAR1 Q96RJ0 2/20 0.31
NR3C1 P04150 1/20 0.31
SLC18A2 Q05940 1/20 0.31

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
SCHEMBL18287356 0.82 CYP2C19 (0.36) TSHRALDH1A1CYP2C19TDP1
SCHEMBL18287349 0.81 POLB (0.33) CYP2C19SIGMAR1
SCHEMBL18287359 0.80 SIGMAR1 (0.34) MAPTL3MBTL1SIGMAR1
SCHEMBL18287352 0.80 CRHR1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2851162 0.78 ALDH1A1 (0.37) TSHRKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2847944 0.78 SIGMAR1 (0.31) SIGMAR1
SCHEMBL18287357 0.77 CYP2D6 (0.38) ALDH1A1CYP2D6L3MBTL1
SCHEMBL2854570 0.77 TSHR (0.33) TSHRSIGMAR1TAAR1SLC18A2
SCHEMBL2850826 0.74 ALDH1A1 (0.34) TSHRKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18287385 0.74 ALDH1A1 (0.37) TSHRKDM4EALDH1A1CYP1A2CYP3A4

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 5 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-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 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-20160359126-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OXA1L, MAL2, L1CAM TSHR 4256/4885KDM4E 1288/4885ALDH1A1 680/4885

“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.