SCHEMBL20916740

SCHEMBL20916740

CCC([C]=O)c1ccccc1I

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
GPR84 Q9NQS5 1/20 0.30
KCNH2 Q12809 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
SCHEMBL6719369 0.78 ESR1 (0.42) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL23356101 0.77 CYP3A4 (0.37) TSHRCYP3A4
SCHEMBL9588383 0.77 NISCH (0.41) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL7278348 0.76 POLB (0.46) TSHR
SCHEMBL143126 0.74 CYP2C9 (0.46) TSHRSLC6A4
SCHEMBL18243016 0.74 TSHR (0.38) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5607730 0.73 MIF (0.39) TSHR
SCHEMBL3807727 0.72 ALDH1A1 (0.46) TSHRCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL143452 0.71 LMNA (0.46)
SCHEMBL8712988 0.71 LMNA (0.46)

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
US-20240174622-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND NIHON MEDI-PHYSICS CO., LTD. (JP) 2024-05-30 US disclosed
EP-4303213-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND Nihon Medi-Physics Co., Ltd. (JP) 2024-01-10 EP disclosed
US-20230348535-A1 RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-11-02 US disclosed
CN-116940557-A Compounds and radiolabeled compounds 日本医事物理股份有限公司 2023-10-24 CN disclosed
US-20230112418-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND NIHON MEDI-PHYSICS CO., LTD. (JP) 2023-04-13 US disclosed
EP-4116306-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND Nihon Medi-Physics Co., Ltd (JP) 2023-01-11 EP disclosed
CN-115210240-A Compound and radiolabeled compound 日本医事物理股份有限公司 2022-10-18 CN disclosed
US-20200339625-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-29 US disclosed
CN-111630059-A Novel radiometal-binding compounds for the diagnosis or treatment of cancers expressing prostate specific membrane antigen 省卫生服务机构 2020-09-04 CN disclosed
EP-3700917-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER Provincial Health Services Authority (CA) 2020-09-02 EP disclosed
WO-2019075583-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2019-04-25 WO 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-20200339625-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER FOLH1, KLK3, PSMA3 TSHR 1821/4885CYP3A4 3991/4885CYP2D6 3410/4885
US-20230348535-A1 RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER FOLH1, KLK3, PSMA3 TSHR 1657/4885CYP3A4 3742/4885CYP2D6 3211/4885
US-20230112418-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND ALB, TFRC, FABP2 TSHR 660/4885CYP3A4 3902/4885CYP2D6 4124/4885
US-20240174622-A1 COMPOUND AND RADIOACTIVE LABELING COMPOUND PSMA2, PSMA1, PSMA3 TSHR 2290/4885CYP3A4 3134/4885CYP2D6 4095/4885

“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.