SCHEMBL3752527

SCHEMBL3752527

CC1=C(C)C(C)(C)C([Ti](Oc2ccccc2C(C)C)Oc2ccccc2C(C)C)=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
NISCH Q9Y2I1 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
AR P10275 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3256296 0.81 KDM4E (0.32) ALDH1A1LMNA
SCHEMBL370497 0.77 HTR7 (0.35) L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL617175 0.75 RAB9A (0.36) L3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8762958 0.73 CA4 (0.30)
Hydrochloric Acid SCHEMBL3668626 0.70 NISCH (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL9999067 0.69 PDK2 (0.39) AR
SCHEMBL27660363 0.64
SCHEMBL4575432 0.63 P2RX3 (0.58) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL31257131 0.63 CA1 (0.60) CYP1A2CYP2C19TSHRP2RX3P2RX2
SCHEMBL29959656 0.63 P2RX3 (0.58) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19

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
EP-2225251-B1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SABIC SK NEXLENE COMPANY PTE LTD (SG) 2015-12-23 EP disclosed
US-8344081-B2 Transition metal complexes, catalysts composition containing the same, and process for preparing ethylene homopolymers or copolymers of ethylene and alpha-olefins using the same SK INNOVATION CO., LTD. (KR) 2013-01-01 US disclosed
US-20100298512-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK ENERGY CO., LTD. (KR) 2010-11-25 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-20100298512-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME MCM4, ESR1, SEM1 SLC6A2 4134/4885SLC6A4 3414/4885SLC6A3 4335/4885

“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.