SCHEMBL98864

SCHEMBL98864

CCC(CCC(=O)Cl)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CA2 P00918 6/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 4/20 0.35
USP2 O75604 1/20 0.34
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 1/20 0.31

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
Hydrochloric Acid SCHEMBL7722330 0.98 TSHR (0.44) TSHRALDH1A1TP53CA2MAPK1
Hydrochloric Acid SCHEMBL8101576 0.90 TSHR (0.38) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL9155211 0.86 ALDH1A1 (0.50) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL8030278 0.85 TSHR (0.41) TSHRALDH1A1TP53
SCHEMBL9802299 0.85 ALDH1A1 (0.50) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL10460142 0.84 TSHR (0.50) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL494363 0.83 ALDH1A1 (0.54) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL495600 0.83 ALDH1A1 (0.54) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL14620255 0.83 ALDH1A1 (0.54) TSHRALDH1A1TP53CA2MAPK1
SCHEMBL495091 0.83 ALDH1A1 (0.54) TSHRALDH1A1TP53CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111296-A1 ELECTROLYTE COMPOSITIONS AND ELECTROCHEMICAL DEVICES USING THE SAME II-VI DELAWARE, INC. (US) 2025-05-30 WO claimed
US-12486246-B2 Replication protein A (RPA)-DNA interaction inhibitors THE TRUSTEES OF INDIANA UNIVERSITY (US) 2025-12-02 US disclosed
WO-2025111296-A1 ELECTROLYTE COMPOSITIONS AND ELECTROCHEMICAL DEVICES USING THE SAME II-VI DELAWARE, INC. (US) 2025-05-30 WO disclosed
CN-115052861-B Compound, composition, cured product, and method for producing cured product 株式会社艾迪科 2024-11-29 CN disclosed
EP-4114825-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2024-11-20 EP disclosed
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US disclosed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20230056729-A1 REPLICATION PROTEIN A (RPA)-DNA INTERACTION INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-02-23 US disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
EP-0418099-B1 Process of preparation of 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RES TRIANGLE INST (US) 2001-12-19 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 WO disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0825164-A2 Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1997013750-A1 AZETIDINONES AND THEIR THERAPEUTIC USE AS CYTOKINE INHIBITORS CHIROSCIENCE LIMITED (GB) 1997-04-17 WO disclosed
WO-1991004260-A2 10,11-METHYLENEDIOXY-20(RS)-CAMPTOTHECIN AND 10,11-METHYLENEDIOXY-20(S)-CAMPTOTHECIN ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1991-04-04 WO disclosed
EP-0418099-A2 10, 11-Methylenedioxy-20 (RS) camptothecin and 10, 11-methylenedioxy-20 (S) - camptothecin analog RESEARCH TRIANGLE INSTITUTE (US) 1991-03-20 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 (3 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-12486246-B2 Replication protein A (RPA)-DNA interaction inhibitors RPA1, RPA3, RPAP1 TSHR 3590/4885ALDH1A1 3970/4885TP53 17/4885
US-20230056729-A1 REPLICATION PROTEIN A (RPA)-DNA INTERACTION INHIBITORS RPA1, RPA3, RPAP1 TSHR 3590/4885ALDH1A1 3970/4885TP53 17/4885
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS OCIAD1, OCIAD2, OXER1 TSHR 2202/4885ALDH1A1 964/4885TP53 3222/4885

“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.