SCHEMBL5951004

SCHEMBL5951004

CC(C)c1cccc2c1CC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2B P41595 2/20 0.41
FAAH O00519 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL8164926 0.88 SLC6A2 (0.33) GABRA1GABRG2GABRB3GABRB2SLC6A2
SCHEMBL15667084 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2SLC6A2
SCHEMBL287857 0.78 CXCL8 (0.40) LMNACYP3A4HPGDPTGS1HIF1A
SCHEMBL287059 0.75 PTGS1 (0.38) SLC6A2HTR2BHPGDPTGS1HTR2A
SCHEMBL4854314 0.74 SLC6A2 (0.37) SLC6A2HTR2BCA1CA2CYP1A2
SCHEMBL24385279 0.73 TRPA1 (0.31) SLC6A2HTR2BLMNA
SCHEMBL3791238 0.73 ENPP2 (0.32) SLC6A2HTR2BHTR2ASLC6A4HRH1
SCHEMBL6914076 0.73 GABRA1 (0.46) GABRA1GABRB2SLC6A2HTR2BHTR2C
SCHEMBL25696255 0.73 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2SLC6A2
SCHEMBL15077039 0.72 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105654-A Curable resin mixture, curable resin composition, and cured product thereof 日本化药株式会社 2020-12-18 CN disclosed
WO-2020031935-A1 CURABLE RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT 日本化薬株式会社 2020-02-13 WO disclosed
CN-103635494-B Alpha-olefin polymerization method 胜亚诺盟股份有限公司 2016-12-14 CN disclosed
US-7019157-B2 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process CHISSO CORPORATION (JP) 2006-03-28 US disclosed
CN-1189435-C Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2005-02-16 CN disclosed
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-20030149200-A1 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process CHISSO PETROCHEMICAL CORPORATION 2003-08-07 US disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
CN-1240782-A Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2000-01-12 CN disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 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 (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-20030149200-A1 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process ZYX, MLX, ZFX GABRA1 4471/4885GABRG2 4718/4885GABRB3 4772/4885

“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.