SCHEMBL1991237

SCHEMBL1991237

O=C(Br)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GSK3B P49841 1/20 0.56
TRPV1 Q8NER1 3/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PHGDH O43175 1/20 0.36

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
SCHEMBL688186 0.85 TP53 (0.47) CA1CA2TP53TSHR
SCHEMBL23395298 0.77 TPMT (0.52) TPMTCA1CA2GSK3BTRPV1
SCHEMBL3760858 0.77 TPMT (0.65) TPMTCA1CA2GSK3BPHGDH
SCHEMBL3841301 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL1244094 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL1994288 0.77 TPMT (0.65) TPMTCA1CA2GSK3BTRPV1
SCHEMBL9389844 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL9173480 0.77 SRD5A2 (0.55)
SCHEMBL9769554 0.77 RAB9A (0.46) GSK3BRXRARXRBPTPN1TP53
SCHEMBL79334 0.74 TPMT (1.00) TPMTCA1CA2GSK3BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240325573-A1 X-RAY DEVELOPABLE MOLECULE, EMBOLISM MICROSPHERE AND PREPARATION METHODS THEREFOR SHANGHAI HUIHE HEALTHCARE TECHNOLOGY CO., LTD. (CN) 2024-10-03 US disclosed
WO-2023124736-A1 X-RAY DEVELOPABLE MOLECULE, X-RAY DEVELOPABLE EMBOLIC MICROSPHERE AND PREPARATION METHOD THEREFOR 上海汇禾医疗科技有限公司 2023-07-06 WO disclosed
WO-2023124736-A1 X-RAY DEVELOPABLE MOLECULE, X-RAY DEVELOPABLE EMBOLIC MICROSPHERE AND PREPARATION METHOD THEREFOR 上海汇禾医疗科技有限公司 2023-07-06 WO disclosed
CN-114262279-B X-ray developable molecule, embolism microsphere and preparation method thereof 上海汇禾医疗科技有限公司 2022-12-16 CN disclosed
CN-114262279-A X-ray developable molecule, embolism microsphere and preparation method thereof 上海汇禾医疗科技有限公司 2022-04-01 CN disclosed
US-11111348-B2 Method for treating surface of resin material layer and resin material MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2021-09-07 US disclosed
EP-3450488-B1 METHOD FOR TREATING SURFACE OF RESIN MATERIAL LAYER AND RESIN MATERIAL MITSUBISHI HEAVY IND LTD (JP) 2021-03-24 EP disclosed
US-20200317876-A1 METHOD FOR TREATING SURFACE OF RESIN MATERIAL LAYER AND RESIN MATERIAL MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2020-10-08 US disclosed
US-8773745-B2 Electrochromic material KYUSHU UNIVERSITY (JP) 2014-07-08 US disclosed
US-20110149367-A1 ELECTROCHROMIC MATERIAL KYUSHU UNIVERSITY (JP) 2011-06-23 US disclosed
US-7638637-B2 Immunomodulators; amino-functional imidazole phosphonates and analogues thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-29 US disclosed
US-7638637-B2 Immunomodulators; amino-functional imidazole phosphonates and analogues thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-12-29 US disclosed
US-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
US-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 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-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists S1PR3, S1PR1, S1PR5 TPMT 1567/4885CA1 4063/4885CA2 2972/4885
US-20240325573-A1 X-RAY DEVELOPABLE MOLECULE, EMBOLISM MICROSPHERE AND PREPARATION METHODS THEREFOR F11, FAR1, FGB TPMT 3699/4885CA1 1982/4885CA2 4139/4885

“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.