SCHEMBL991201

SCHEMBL991201

[KH].c1ccc(B(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.50
ORAI1 Q96D31 3/20 0.50
ORAI2 Q96SN7 3/20 0.50
ORAI3 Q9BRQ5 3/20 0.50
CA4 P22748 3/20 0.50
CA14 Q9ULX7 2/20 0.50
PCSK9 Q8NBP7 2/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
ENPP2 Q13822 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 3/20 0.38
MGLL Q99685 2/20 0.36
BBOX1 O75936 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL125450 0.96 TRPV6 (0.53) TRPV6ORAI1ORAI2ORAI3CA4
Ammonia Solution, Strong SCHEMBL475909 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
Fluoride SCHEMBL5958527 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL7644960 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL500600 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL3164727 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL2197441 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL3887343 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL11103898 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4
SCHEMBL17036053 0.92 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115716799-A Method for preparing cis-chiral-3-fluoro-4-hydroxypiperidine and derivatives thereof by reduction of organic borohydride metal reagent 丽水绿氟科技有限公司 2023-02-28 CN claimed
CN-112939847-B Method for preparing moxifloxacin intermediate (S, S) -2, 8-diazabicyclo [4,3,0] nonane 台州市生物医化产业研究院有限公司 2022-05-13 CN claimed
CN-112920184-B Method for preparing moxifloxacin intermediate (S, S) -2, 8-diazabicyclo [4,3,0] nonane 台州市生物医化产业研究院有限公司 2022-03-01 CN claimed
US-7718792-B2 Stereospecific reduction of sapogen-3-ones PHYTOPHARM PLC (GB) 2010-05-18 US claimed
EP-1558627-B1 STEREOSPECIFIC REDUCTION OF SAPOGEN-3-ONES PHYTOPHARM PLC (GB) 2010-03-03 EP claimed
CN-100486989-C Stereospecific reduction of saporin-3-ones PHYTOPHARM PLC (GB) 2009-05-13 CN claimed
EP-1770092-A1 Process for the preparation of 5-(4-(2-(N-methyl-N-(2-pyridyl)amino)ethoxy)benzyl)-2,4-thiazolidinedione SMITHKLINE BEECHAM PLC (GB) 2007-04-04 EP claimed
US-20060041119-A1 Stereospecific reduction of Sapogen-3-ones PHYTOPHARM PLC (GB) 2006-02-23 US claimed
CN-1723218-A Stereospecific reduction of saporin-3-ones PHYTOTECH LTD (GB) 2006-01-18 CN claimed
EP-1558627-A1 STEREOSPECIFIC REDUCTION OF SAPOGEN-3-ONES Phytopharm Plc (GB) 2005-08-03 EP claimed
WO-2004037845-A1 STEREOSPECIFIC REDUCTION OF SAPOGEN-3-ONES PHYTOPHARM PLC (GB) 2004-05-06 WO claimed
US-6632947-B2 By selective reduction of the exocyclic double bond in a benzylidene thiazolidine-2,4-dione moiety by complex hydride reducing agents such as lithium tri-sec-butyl borohydride SMITHKLINE BEECHAM PLC (GB) 2003-10-14 US claimed
US-20020042519-A1 Process for the preparation of substituted thiazolidinedione SMITHKLINE BEECHAM P.L.C. 2002-04-11 US claimed
CN-1252065-A Process for preparing substituted thiazolidinedione SMITHKLINE BEECHAM PLC (GB) 2000-05-03 CN claimed
EP-0970063-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLIDINEDIONE SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP claimed
WO-1998037073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIAZOLIDINEDIONE SMITHKLINE BEECHAM PLC (GB) 1998-08-27 WO claimed
US-20250333413-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES INC (US) 2025-10-30 US disclosed
US-12421193-B2 GPR52 modulators and methods of use NEUROCRINE BIOSCIENCES, INC. (US) 2025-09-23 US disclosed
US-4517227-A Forming of thick-layer, hybrid electronic printed circuits RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-05-14 US disclosed
US-4085267-A Process for the suspension polymerization of vinyl chloride with low polymer buildup THE B. F. GOODRICH COMPANY (US) 1978-04-18 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 (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-20250333413-A1 SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS SLC18A2, SLC6A2, SLC18A1 TRPV6 1544/4885ORAI1 3613/4885ORAI2 2261/4885
US-20020042519-A1 Process for the preparation of substituted thiazolidinedione TALDO1, CYP11B1, CYP11B2 TRPV6 1844/4885ORAI1 4584/4885ORAI2 4735/4885
US-20060041119-A1 Stereospecific reduction of Sapogen-3-ones HSD3B2, HSD3B1, HSD17B7 TRPV6 2493/4885ORAI1 3135/4885ORAI2 734/4885
US-12421193-B2 GPR52 modulators and methods of use GPR52, GPR68, GPR35 TRPV6 317/4885ORAI1 1156/4885ORAI2 1169/4885

“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.