SCHEMBL29065600

SCHEMBL29065600

CC(C)c1cccc(C(C)C)c1O[Ti]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
TSHR P16473 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL9271255 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL5548772 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL9988540 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL9565693 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL315900 0.75 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22026422 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL3373494 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL12974541 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL3373492 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL13408054 0.73 TSHR (0.47) GABRA1GABRG2GABRB3GABRB2TSHR

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-12503525-B2 Biphenol metal complex, preparation method therefor and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2025-12-23 US disclosed
US-12448468-B2 Catalyst for olefin polymerization and polymerization method using same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2025-10-21 US disclosed
CN-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 CN disclosed
US-20220380397-A1 BIPHENOL METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-12-01 US disclosed
US-20220372177-A1 CATALYST FOR OLEFIN POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-11-24 US disclosed
EP-4053168-A1 CATALYST FOR OLEFIN POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-09-07 EP disclosed
EP-4053167-A1 BIPHENOL METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-09-07 EP 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-12503525-B2 Biphenol metal complex, preparation method therefor and use thereof ASH2L, WEE2, WEE1 GABRA1 534/4885GABRG2 722/4885GABRB3 1467/4885
US-20220380397-A1 BIPHENOL METAL COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF ASH2L, CYP27B1, MSMO1 GABRA1 504/4885GABRG2 704/4885GABRB3 1490/4885
US-20220372177-A1 CATALYST FOR OLEFIN POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CBR3, CBR1, AOC2 GABRA1 3366/4885GABRG2 3280/4885GABRB3 3507/4885
US-12448468-B2 Catalyst for olefin polymerization and polymerization method using same CBR3, CBR1, AOC2 GABRA1 3366/4885GABRG2 3280/4885GABRB3 3507/4885

“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.