SCHEMBL6918917

SCHEMBL6918917

Cc1c[c]ccc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2873786 0.83 GABRA1 (0.37) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL677730 0.80 CA2 (0.33) CYP1A2CYP2C9CA2ALDH1A1TYR
SCHEMBL596305 0.79
SCHEMBL454798 0.79 AR (0.31)
SCHEMBL29084727 0.78 CA2 (0.32) CA2ALDH1A1TSHRTDP1
SCHEMBL697788 0.76
SCHEMBL19356874 0.76
SCHEMBL3693116 0.74 CA2 (0.30) CA2
SCHEMBL3229140 0.74 ALDH1A1 (0.48) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL15319301 0.74 CA2 (0.30) CA2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070120-A1 KETOAMIDES FOR TREATING MALIGNANCY BIOTHERYX, INC. (US) 2023-04-27 WO claimed
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US claimed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN claimed
WO-2020242960-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2020-12-03 WO claimed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 US claimed
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed
WO-2020242960-A1 COMPOUNDS TARGETING PROTEINS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2020-12-03 WO disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 US disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 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 (2 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-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 GABRA1 3386/4885GABRB2 2207/4885CYP1A2 4794/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 GABRA1 3386/4885GABRB2 2207/4885CYP1A2 4794/4885

“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.