SCHEMBL2082815

SCHEMBL2082815

c1ccc([Pd](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LTA4H P09960 3/20 0.50
CA4 P22748 2/20 0.44
ALDH1A1 P00352 3/20 0.40
KCNA3 P22001 1/20 0.40
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36
MAOA P21397 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA12 O43570 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL28451848 1.00 TSHR (0.50) TSHRLTA4HCA4ALDH1A1KCNA3
Hydrochloric Acid SCHEMBL4258270 0.96 TSHR (0.47) TSHRLTA4HCA4ALDH1A1KCNA3
Hydrochloric Acid SCHEMBL28617519 0.96 TSHR (0.47) TSHRLTA4HCA4ALDH1A1KCNA3
Hydrochloric Acid SCHEMBL8695009 0.96 TSHR (0.47) TSHRLTA4HCA4ALDH1A1KCNA3
Arsenic SCHEMBL6243916 0.96 TSHR (0.47) TSHRLTA4HCA4ALDH1A1KCNA3
Phosphine SCHEMBL423880 0.96 TSHR (0.47) TSHRLTA4HCA4ALDH1A1KCNA3
Hydrochloric Acid SCHEMBL1466370 0.93 TSHR (0.44) TSHRLTA4HCA4ALDH1A1KCNA3
Hydrochloric Acid SCHEMBL3277975 0.93 TSHR (0.44) TSHRLTA4HCA4ALDH1A1KCNA3
Phosphoric Acid SCHEMBL29032829 0.82 SRC (0.42) TSHRLTA4HCA4ALDH1A1KCNA3
Phosphoric Acid SCHEMBL29169671 0.82 SRC (0.54) TSHRCA4ALDH1A1CA5ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652242-B Aggregation-induced emission type photosensitizer with I-type active oxygen generation capacity and preparation method and application thereof 内蒙古大学 2024-10-18 CN claimed
CN-118652242-A Aggregation-induced emission type photosensitizer with I-type active oxygen generation capacity and preparation method and application thereof 内蒙古大学 2024-09-17 CN claimed
CN-107771178-A Synthesis of heterocyclic compounds 普莱希科公司 2018-03-06 CN claimed
CN-102603568-A Fluorine-containing bis-diphenylacetylene liquid crystal compound and preparation method thereof UNIV BEIJING SCIENCE & TECH 2012-07-25 CN claimed
US-20260007785-A1 USE OF LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), AS AGENTS FOR THE TREATMENT OF PROSTATE CANCER NOVARTIS AG (CH) 2026-01-08 US disclosed
EP-4587463-A1 COMPOSITIONS AND METHODS FOR VIROTHERAPY Yeda Research and Development Co. Ltd (IL) 2025-07-23 EP disclosed
CN-119432083-A 3D printed cartilage carving model and manufacturing method thereof 埃肯有机硅(上海)有限公司 2025-02-14 CN disclosed
CN-118652242-B Aggregation-induced emission type photosensitizer with I-type active oxygen generation capacity and preparation method and application thereof 内蒙古大学 2024-10-18 CN disclosed
CN-118652242-A Aggregation-induced emission type photosensitizer with I-type active oxygen generation capacity and preparation method and application thereof 内蒙古大学 2024-09-17 CN disclosed
WO-2024138379-A1 USE OF COATING SYSTEM COMPRISING ACRYLIC PRE-COAT AND SILICONE TOP-COAT IN A PAPER-BASED FOOD CONTAINER AND THE PAPER-BASED FOOD CONTAINER COATED WITH THE COATING SYSTEM ELKEM SILICONES SHANGHAI CO., LTD. (CN) 2024-07-04 WO disclosed
WO-2024057315-A1 COMPOSITIONS AND METHODS FOR VIROTHERAPY YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-03-21 WO disclosed
CN-115551867-B Fused tricyclic compounds, pharmaceutical compositions and uses thereof 劲方医药科技(上海)有限公司 2024-02-20 CN disclosed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
EP-1495003-A1 FREDERICAMYCIN DERIVATIVES Biofrontera Discovery Gmbh (DE) 2005-01-12 EP disclosed
WO-2003087060-A1 FREDERICAMYCIN DERIVATIVES BIOFRONTERA DISCOVERY GMBH (DE) 2003-10-23 WO disclosed
CN-1323211-A New pharmaceutical use of NOS inhibitors PFIZER PROD INC (US) 2001-11-21 CN disclosed
CN-1277607-A 2-substituted 1,2-benzisothiazole derivatives and their use as serotonin antagonists (5-HT1A, 5-HT1b and 5-HT1D) BASF AG (DE) 2000-12-20 CN disclosed
CN-1268133-A 2-Aminopyridines containing fused ring substituents as NOS inhibitors PFIZER PROD INC (US) 2000-09-27 CN disclosed
CN-1031057-C Triazolo [4.3-a][1,4] benzodiazepine and thiopheno [3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine HOFFMANN LA ROCHE (CH) 1996-02-21 CN disclosed
CN-1034722-A Triazole [4,3-a] [1,4] benzodiazepines and thieno-[3,2-f] [1,2,4] triazolo [4,3-a] [1,4] diazepine HOFFMANN LA ROCHE (CH) 1989-08-16 CN 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-20260007785-A1 USE OF LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), AS AGENTS FOR THE TREATMENT OF PROSTATE CANCER PSMA1, ACP3, FOLH1 TSHR 1262/4885LTA4H 2555/4885CA4 333/4885

“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.