SCHEMBL435243

SCHEMBL435243

c1ccc(B(OB(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 1.00
ORAI1 Q96D31 3/20 1.00
ORAI2 Q96SN7 3/20 1.00
ORAI3 Q9BRQ5 3/20 1.00
PCSK9 Q8NBP7 1/20 0.53
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TRPM2 O94759 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CA4 P22748 2/20 0.45

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
SCHEMBL8161029 0.81 TRPV6 (0.65) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL7796734 0.75 ORAI1 (0.60) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL4264054 0.73 ORAI1 (0.57) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL14187127 0.71 ORAI1 (0.55) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL500599 0.71 TRPV6 (0.55) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL13476067 0.69 ORAI1 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL7800329 0.69 TSHR (0.56) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL6911660 0.69 ORAI1 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL7270858 0.69 ORAI1 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL7461066 0.69 ORAI1 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239814-A1 Complexes Of CU(I) As Antitumor Agents UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2024-07-18 US claimed
CN-117835181-A Unmanned ship data transmission method based on data fusion 中国船舶集团有限公司系统工程研究院 2024-04-05 CN claimed
CN-117417541-A Preparation method of 2D halogen bond organic framework XOF, preparation method of chiral supramolecular halogen bond organic framework and application 武汉大学 2024-01-19 CN claimed
CN-115179280-A Reward shaping method based on magnetic field in mechanical arm control for reinforcement learning 南京大学 2022-10-14 CN claimed
US-20170128475-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION THE GENERAL HOSPITAL CORPORATION (US) 2017-05-11 US claimed
US-20140148413-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-05-29 US claimed
US-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2013-08-08 US claimed
EP-2585109-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION The General Hospital Corporation (US) 2013-05-01 EP claimed
WO-2012012498-A9 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-04-05 WO claimed
WO-2012012498-A2 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS PULMATRIX, INC. (US) 2012-01-26 WO claimed
WO-2011163308-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING ORGAN INJURY AND/OR DYSFUNCTION THE GENERAL HOSPITAL CORPORATION (US) 2011-12-29 WO claimed
EP-1620905-A1 ELECTROLUMINESCENT BORON COMPLEXES NUKO 70 Limited (GB) 2006-02-01 EP claimed
WO-2004084325-A1 ELECTROLUMINESCENT BORON COMPLEXES NUKO 70 LIMITED (GB) 2004-09-30 WO claimed
US-6353071-B1 DESICCATING MIXTURE OF ALUMINOXANE AND SOLVENT TO PRODUCE SOLID, MIXING WITH SOLVENT, CONTACTING SECOND MIXTURE WITH INSOLUBLIZATION AGENT TO PRODUCE ALUMINOXANE COMPOSITION, COMBINING WITH TRANSITION METAL CATALYST, POLYMERIZING OLEFIN PHILLIPS PETROLEUM COMPANY 2002-03-05 US claimed
US-6096915-A Processes to produce organo-aluminoxane compositions PALACKAL SYRIAC J (US) 2000-08-01 US claimed
JP-5213760-A None JP disclosed
CN-116790617-B Gene mutant for reducing leaf water loss rate and application thereof 云南省烟草农业科学研究院 2026-05-12 CN disclosed
US-5196478-A Polystyrene, assays EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1993-03-23 US disclosed
EP-0439585-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS. EPIPHARM ALLERGIE SERVICE (AT) 1991-08-07 EP disclosed
WO-1991002768-A1 IMMOBILISATION OF LIGANDS BY RADIO-DERIVATIZED POLYMERS EPIPHARM ALLERGIE-SERVICE GESELLSCHAFT M.B.H. (AT) 1991-03-07 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 (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-20240239814-A1 Complexes Of CU(I) As Antitumor Agents C1S, C9, C1R TRPV6 4154/4885ORAI1 421/4885ORAI2 3097/4885
US-20130203715-A1 USE OF TRP CHANNEL AGONISTS TO TREAT INFECTIONS TRPV1, TRPC4, TRPC3 TRPV6 17/4885ORAI1 65/4885ORAI2 173/4885

“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.